N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide

C20H36N2O2 — CID 40516545

IUPACN-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H36N2O2/c1-14(2)13-18(22-19(23)16-7-5-4-6-8-16)20(24)21-17-11-9-15(3)10-12-17/h14-18H,4-13H2,1-3H3,(H,21,24)(H,22,23)/t15?,17?,18-/m0/s1
InChIKeyRILGBGGCJKTTEN-VJFUWPCTSA-N
MW336.52 g/mol
LogP3.79
Rot. Bonds6

About N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide

N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide (PubChem CID 40516545) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
PubChem CID40516545
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H36N2O2/c1-14(2)13-18(22-19(23)16-7-5-4-6-8-16)20(24)21-17-11-9-15(3)10-12-17/h14-18H,4-13H2,1-3H3,(H,21,24)(H,22,23)/t15?,17?,18-/m0/s1
InChIKeyRILGBGGCJKTTEN-VJFUWPCTSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide with MolForge

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Related Compounds

2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
CID 163408455
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
(2S)-2-[[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119361412
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 7064725
N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 22422546
(2S)-N-cyclopropyl-4-methyl-2-(methylamino)pentanamide
CID 163408446
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide (CID 40516545) is N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide is CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NC1CCC(C)CC1.
What is the InChIKey of N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide?
The InChIKey is RILGBGGCJKTTEN-VJFUWPCTSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-14(2)13-18(22-19(23)16-7-5-4-6-8-16)20(24)21-17-11-9-15(3)10-12-17/h14-18H,4-13H2,1-3H3,(H,21,24)(H,22,23)/t15?,17?,18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide?
N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide has a molecular weight of 336.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 40516545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).