(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

C16H31N3O2 — CID 9049858

IUPAC(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H31N3O2/c1-11(2)17-15(20)10-19(5)13(4)16(21)18-14-9-7-6-8-12(14)3/h11-14H,6-10H2,1-5H3,(H,17,20)(H,18,21)/t12-,13+,14+/m0/s1
InChIKeyHXZAJHAZIJEUOU-BFHYXJOUSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds6

About (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide

(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (PubChem CID 9049858) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
PubChem CID9049858
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
SMILESCC(C)NC(=O)CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C16H31N3O2/c1-11(2)17-15(20)10-19(5)13(4)16(21)18-14-9-7-6-8-12(14)3/h11-14H,6-10H2,1-5H3,(H,17,20)(H,18,21)/t12-,13+,14+/m0/s1
InChIKeyHXZAJHAZIJEUOU-BFHYXJOUSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide 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

2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 62637591
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11938729
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880741
1-N,3-N,5-N-tris(2-methylcyclohexyl)pentane-1,3,5-tricarboxamide
CID 139666026
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55410555
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propanamide
CID 11929401
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
(2R)-N-(1-adamantyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049712
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 47005760

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide (CID 9049858) is (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is CC(C)NC(=O)CN(C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is HXZAJHAZIJEUOU-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-11(2)17-15(20)10-19(5)13(4)16(21)18-14-9-7-6-8-12(14)3/h11-14H,6-10H2,1-5H3,(H,17,20)(H,18,21)/t12-,13+,14+/m0/s1.
What are the key properties of (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide?
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 9049858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).