N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide

C24H30N2O2 — CID 124732495

IUPACN-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-17-10-9-15-21(18(17)2)25-23(27)16-22(19-11-5-3-6-12-19)26-24(28)20-13-7-4-8-14-20/h3-8,11-14,17-18,21-22H,9-10,15-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18+,21+,22-/m1/s1
InChIKeyJPHZOCNNWDCUCN-JZZBYWGLSA-N
MW378.52 g/mol
LogP4.49
Rot. Bonds6

About N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 124732495) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID124732495
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-17-10-9-15-21(18(17)2)25-23(27)16-22(19-11-5-3-6-12-19)26-24(28)20-13-7-4-8-14-20/h3-8,11-14,17-18,21-22H,9-10,15-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18+,21+,22-/m1/s1
InChIKeyJPHZOCNNWDCUCN-JZZBYWGLSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide with MolForge

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Related Compounds

N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 56827734
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
N-[(1S)-3-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamothioyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 11946157
4-methyl-N-[3-[(2-methylpiperidin-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 120577601
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
CID 51165973
N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
CID 95271231
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7783372
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 11915778
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide (CID 124732495) is N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is JPHZOCNNWDCUCN-JZZBYWGLSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-10-9-15-21(18(17)2)25-23(27)16-22(19-11-5-3-6-12-19)26-24(28)20-13-7-4-8-14-20/h3-8,11-14,17-18,21-22H,9-10,15-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18+,21+,22-/m1/s1.
What are the key properties of N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 124732495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).