N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C23H28N2O2 — CID 126009171

IUPACN-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-7,11-14,17,20-21H,8-10,15-16H2,1H3,(H,24,27)(H,25,26)/t17-,20-,21-/m1/s1
InChIKeyORHXODMKXNCMGZ-DUXKGJEZSA-N
MW364.49 g/mol
LogP3.72
Rot. Bonds6

About N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 126009171) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID126009171
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-7,11-14,17,20-21H,8-10,15-16H2,1H3,(H,24,27)(H,25,26)/t17-,20-,21-/m1/s1
InChIKeyORHXODMKXNCMGZ-DUXKGJEZSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
2-methyl-N-[(2S)-1-[[(1S,2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)-3-phenylpropanoyl]amino]cyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
CID 101156220
benzyl N-[(2S)-3-(4-hydroxy-3,5-diiodophenyl)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]carbamate
CID 126008618
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
CID 25044437
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R,2R)-2-methylcyclohexyl]-3-phenylpropanamide
CID 92698390
N-[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 41008705
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 120555687
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 124772972

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 126009171) is N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is ORHXODMKXNCMGZ-DUXKGJEZSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-7,11-14,17,20-21H,8-10,15-16H2,1H3,(H,24,27)(H,25,26)/t17-,20-,21-/m1/s1.
What are the key properties of N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 126009171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).