(2R)-2,5-Dimethyl-N-(propan-2-yl)hexanamide

CAS Number: 62073-55-6
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CC(C)CC[C@@H](C)C(NC(C)C)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H23NO
Molecular Weight
185.31
Drug-likeness
1.8042
CAS
62073-55-6
InChI key
ZLRARHQJLBFENK-SNVBAGLBSA-N
SMILES
CC(C)CC[C@@H](C)C(NC(C)C)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62073-55-6
Molecule Name (2R)-2,5-Dimethyl-N-(propan-2-yl)hexanamide
Molecular Formula C11H23NO
SMILES CC(C)CC[C@@H](C)C(NC(C)C)=O
InChI InChI=1S/C11H23NO/c1-8(2)6-7-10(5)11(13)12-9(3)4/h8-10H,6-7H2,1-5H3,(H,12,13)/t10-/m1/s1
InChI Key ZLRARHQJLBFENK-SNVBAGLBSA-N
CanonicalSyTyLFy fd02b286b3c69b9e
TotalMolweight 185.31
Molecular Weight 185.31
MonoisotopicMass 185.177964
CLogP 2.6744
CLogS -2.529
H Acceptors 2
H Donors 1
TotalSurfaceArea 169.03
Relative PSA 0.14494
PolarSurfaceArea 29.1
Drug-likeness 1.8042
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.69231
Molecula Flexibility 0.5911
Molecular Complexity 0.48173
Fragments 1
Non HAtoms 13
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 5
Sp3Atoms 10
Symmetricatoms 2
Amides 1
StereoCon this enantiomer

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