C27H30N2O4 | Cheminformatics

N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide

Formula:C27H30N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide is a drug-like molecule.

MolNameN-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-methylphenyl)furan-2-carboxamide
MolecularFormulaC27H30N2O4
SmilesCc(cccc1)c1N([C@@H](C(NC1CCCCC1)=O)c(cc1)ccc1OC)C(c1ccco1)=O
InChIInChI=1S/C27H30N2O4/c1-19-9-6-7-12-23(19)29(27(31)24-13-8-18-33-24)25(20-14-16-22(32-2)17-15-20)26(30)28-21-10-4-3-5-11-21/h6-9,12-18,21,25H,3-5,10-11H2,1-2H3,(H,28,30)/t25-/m1/s1
InChIKJDYHUVWRMSSYNU-RUZDIDTESA-N
TotalMolweight446.545
Molweight446.545
MonoisotopicMass446.220558
CLogP4.457
CLogS-5.583
H Acceptors6
H Donors1
TotalSurfaceArea354.55
Relative PSA0.1839
PolarSurfaceArea71.78
Druglikeness0.19108
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.39394
Fragments1
Non HAtoms33
NonCHAtoms6
Electronegative Atoms6
StereoCenters1
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms10
Symmetricatoms4
Amides2
StereoConthis enantiomer

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