N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide

C19H27N3O3 — CID 94193196

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide
SMILESCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C
InChIInChI=1S/C19H27N3O3/c1-11-7-5-9-15(12(11)2)21-18(24)19(25)22-16-10-6-8-14(13(16)3)17(23)20-4/h6,8,10-12,15H,5,7,9H2,1-4H3,(H,20,23)(H,21,24)(H,22,25)/t11-,12+,15-/m1/s1
InChIKeyQDKALSARINUACY-TYNCELHUSA-N
MW345.44 g/mol
LogP2.23
Rot. Bonds3

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide (PubChem CID 94193196) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide
PubChem CID94193196
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide
SMILESCNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C
InChIInChI=1S/C19H27N3O3/c1-11-7-5-9-15(12(11)2)21-18(24)19(25)22-16-10-6-8-14(13(16)3)17(23)20-4/h6,8,10-12,15H,5,7,9H2,1-4H3,(H,20,23)(H,21,24)(H,22,25)/t11-,12+,15-/m1/s1
InChIKeyQDKALSARINUACY-TYNCELHUSA-N
XLogP2.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279678
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935
1-(3-chloro-2-methylphenyl)-3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11920775
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(2-methylphenyl)thiourea
CID 8615929
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
N,2-dimethyl-3-[(2-methylthiolan-3-yl)amino]benzamide
CID 102670996
3-[(3-cyclopropylcyclohexyl)amino]-N,2-dimethylbenzamide
CID 64596426

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide (CID 94193196) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide is CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide?
The InChIKey is QDKALSARINUACY-TYNCELHUSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-11-7-5-9-15(12(11)2)21-18(24)19(25)22-16-10-6-8-14(13(16)3)17(23)20-4/h6,8,10-12,15H,5,7,9H2,1-4H3,(H,20,23)(H,21,24)(H,22,25)/t11-,12+,15-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide has a molecular weight of 345.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N'-[2-methyl-3-(methylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 94193196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).