C22H29NO3 | Cheminformatics

N-(3,5-ditert-butyl-2-hydroxyphenyl)-2-methoxybenzamide

Formula:C22H29NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3,5-ditert-butyl-2-hydroxyphenyl)-2-methoxybenzamide is not a drug-like molecule.

MolNameN-(3,5-ditert-butyl-2-hydroxyphenyl)-2-methoxybenzamide
MolecularFormulaC22H29NO3
SmilesCC(C)(C)c(cc1C(C)(C)C)cc(NC(c(cccc2)c2OC)=O)c1O
InChIInChI=1S/C22H29NO3/c1-21(2,3)14-12-16(22(4,5)6)19(24)17(13-14)23-20(25)15-10-8-9-11-18(15)26-7/h8-13,24H,1-7H3,(H,23,25)
InChIKHYTYHMXMTCKZAE-UHFFFAOYSA-N
TotalMolweight355.476
Molweight355.476
MonoisotopicMass355.214744
CLogP5.5552
CLogS-5.17
H Acceptors4
H Donors2
TotalSurfaceArea285.22
Relative PSA0.16689
PolarSurfaceArea58.56
Druglikeness-2.3785
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.42308
Fragments1
Non HAtoms26
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms11
Symmetricatoms4
Amides1
StereoCon

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