5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide

C15H21N3O3 — CID 61125956

IUPAC5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-21-13-7-4-10(16)8-12(13)15(20)18-11-5-2-9(3-6-11)14(17)19/h4,7-9,11H,2-3,5-6,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyRUBKGKXFJBQBFT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.05
Rot. Bonds4

About 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide

5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide (PubChem CID 61125956) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
PubChem CID61125956
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-21-13-7-4-10(16)8-12(13)15(20)18-11-5-2-9(3-6-11)14(17)19/h4,7-9,11H,2-3,5-6,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyRUBKGKXFJBQBFT-UHFFFAOYSA-N
XLogP1.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
5-amino-2-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64656087
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
cis-(1R,3S)-3-[(2-methoxy-5-sulfamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678871
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide (CID 61125956) is 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide?
The InChIKey is RUBKGKXFJBQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-7-4-10(16)8-12(13)15(20)18-11-5-2-9(3-6-11)14(17)19/h4,7-9,11H,2-3,5-6,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide?
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide has a molecular weight of 291.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide is sourced from PubChem (CID 61125956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).