4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride

C17H24ClN3O2 — CID 119698530

IUPAC4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1
InChIInChI=1S/C17H23N3O2.ClH/c18-13-3-1-2-12(10-13)17(22)20-14-6-4-11(5-7-14)16(21)19-15-8-9-15;/h4-7,12-13,15H,1-3,8-10,18H2,(H,19,21)(H,20,22);1H
InChIKeyVNRXAZYTBPQBCO-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.46
Rot. Bonds4

About 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride

4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride (PubChem CID 119698530) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
PubChem CID119698530
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1
InChIInChI=1S/C17H23N3O2.ClH/c18-13-3-1-2-12(10-13)17(22)20-14-6-4-11(5-7-14)16(21)19-15-8-9-15;/h4-7,12-13,15H,1-3,8-10,18H2,(H,19,21)(H,20,22);1H
InChIKeyVNRXAZYTBPQBCO-UHFFFAOYSA-N
XLogP2.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 63044136
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865091
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
N-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759063
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride (CID 119698530) is 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1.
What is the InChIKey of 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is VNRXAZYTBPQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c18-13-3-1-2-12(10-13)17(22)20-14-6-4-11(5-7-14)16(21)19-15-8-9-15;/h4-7,12-13,15H,1-3,8-10,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride?
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 119698530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).