N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

C25H33N3O2 — CID 71691768

IUPACN-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C25H33N3O2/c1-18(2)20-11-13-21(14-12-20)24(29)28-23(16-19-8-4-3-5-9-19)25(30)27-17-22-10-6-7-15-26-22/h3-10,15,18,20-21,23H,11-14,16-17H2,1-2H3,(H,27,30)(H,28,29)/t20?,21?,23-/m1/s1
InChIKeyCBHYCDCXYDIMQW-YDPRHXJPSA-N
MW407.56 g/mol
LogP3.89
Rot. Bonds8

About N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 71691768) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID71691768
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C25H33N3O2/c1-18(2)20-11-13-21(14-12-20)24(29)28-23(16-19-8-4-3-5-9-19)25(30)27-17-22-10-6-7-15-26-22/h3-10,15,18,20-21,23H,11-14,16-17H2,1-2H3,(H,27,30)(H,28,29)/t20?,21?,23-/m1/s1
InChIKeyCBHYCDCXYDIMQW-YDPRHXJPSA-N
XLogP3.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892
N-[(2R)-1-oxo-3-phenyl-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 71829750
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
1-(benzenesulfonyl)-N-[(2R)-4-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]piperidine-4-carboxamide
CID 124651196
N-[(2R)-1-[(1,1-dioxothiolan-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 71829698
[(2S)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 10139735
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-(pyridin-2-ylmethyl)urea
CID 95158324

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide (CID 71691768) is N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2ccccn2)CC1.
What is the InChIKey of N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CBHYCDCXYDIMQW-YDPRHXJPSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18(2)20-11-13-21(14-12-20)24(29)28-23(16-19-8-4-3-5-9-19)25(30)27-17-22-10-6-7-15-26-22/h3-10,15,18,20-21,23H,11-14,16-17H2,1-2H3,(H,27,30)(H,28,29)/t20?,21?,23-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 71691768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).