N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide

C17H24N2O2 — CID 125145081

IUPACN'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H24N2O2/c1-12-7-3-5-9-14(12)11-18-16(20)17(21)19-15-10-6-4-8-13(15)2/h3,5,7,9,13,15H,4,6,8,10-11H2,1-2H3,(H,18,20)(H,19,21)/t13-,15+/m1/s1
InChIKeyZQGWADMIVVASAU-HIFRSBDPSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds3

About N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide

N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide (PubChem CID 125145081) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
PubChem CID125145081
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C17H24N2O2/c1-12-7-3-5-9-14(12)11-18-16(20)17(21)19-15-10-6-4-8-13(15)2/h3,5,7,9,13,15H,4,6,8,10-11H2,1-2H3,(H,18,20)(H,19,21)/t13-,15+/m1/s1
InChIKeyZQGWADMIVVASAU-HIFRSBDPSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-methylcyclohexyl)oxamide
CID 108518943
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide (CID 125145081) is N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide is Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide?
The InChIKey is ZQGWADMIVVASAU-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-7-3-5-9-14(12)11-18-16(20)17(21)19-15-10-6-4-8-13(15)2/h3,5,7,9,13,15H,4,6,8,10-11H2,1-2H3,(H,18,20)(H,19,21)/t13-,15+/m1/s1.
What are the key properties of N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide?
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide has a molecular weight of 288.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 125145081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).