3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide

C16H23N3O2 — CID 60851927

IUPAC3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(N)CC2)c1C
InChIInChI=1S/C16H23N3O2/c1-10-13(16(21)18-2)4-3-5-14(10)19-15(20)11-6-8-12(17)9-7-11/h3-5,11-12H,6-9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySRLFULRPQZIGCQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.81
Rot. Bonds3

About 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide

3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide (PubChem CID 60851927) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
PubChem CID60851927
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C2CCC(N)CC2)c1C
InChIInChI=1S/C16H23N3O2/c1-10-13(16(21)18-2)4-3-5-14(10)19-15(20)11-6-8-12(17)9-7-11/h3-5,11-12H,6-9,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySRLFULRPQZIGCQ-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(3-carbamoyl-2-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 34571954
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
CID 46761195
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
1-(benzenesulfonyl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 46461883
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46461736
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86998350

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide (CID 60851927) is 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)C2CCC(N)CC2)c1C.
What is the InChIKey of 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide?
The InChIKey is SRLFULRPQZIGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-13(16(21)18-2)4-3-5-14(10)19-15(20)11-6-8-12(17)9-7-11/h3-5,11-12H,6-9,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide?
3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 60851927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).