N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide

C15H20N2O3 — CID 104953006

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-6-8-11(9-7-10)16-14(19)15(20)17-12-4-2-3-5-13(12)18/h6-9,12-13,18H,2-5H2,1H3,(H,16,19)(H,17,20)/t12-,13-/m0/s1
InChIKeyBWVYNDHLMKNZMH-STQMWFEESA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide (PubChem CID 104953006) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
PubChem CID104953006
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C15H20N2O3/c1-10-6-8-11(9-7-10)16-14(19)15(20)17-12-4-2-3-5-13(12)18/h6-9,12-13,18H,2-5H2,1H3,(H,16,19)(H,17,20)/t12-,13-/m0/s1
InChIKeyBWVYNDHLMKNZMH-STQMWFEESA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide 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

1-[(1S,2S)-2-hydroxycyclopentyl]-3-(4-methylphenyl)urea
CID 40653337
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
N'-(3,5-difluorophenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798158
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methylphenyl)sulfonylurea
CID 40596016
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide (CID 104953006) is N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide?
The InChIKey is BWVYNDHLMKNZMH-STQMWFEESA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-8-11(9-7-10)16-14(19)15(20)17-12-4-2-3-5-13(12)18/h6-9,12-13,18H,2-5H2,1H3,(H,16,19)(H,17,20)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 104953006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).