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

C15H21N3O3 — CID 115412622

IUPAC2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(C(N)=O)CC2)c(N)c1
InChIInChI=1S/C15H21N3O3/c1-21-11-6-7-12(13(16)8-11)15(20)18-10-4-2-9(3-5-10)14(17)19/h6-10H,2-5,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCMRWCENEJJPSDM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.05
Rot. Bonds4

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

2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide (PubChem CID 115412622) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
PubChem CID115412622
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(C(N)=O)CC2)c(N)c1
InChIInChI=1S/C15H21N3O3/c1-21-11-6-7-12(13(16)8-11)15(20)18-10-4-2-9(3-5-10)14(17)19/h6-10H,2-5,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCMRWCENEJJPSDM-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

2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-amino-4-methoxy-N-(2-methylcyclopropyl)benzamide
CID 115413150
4-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60810345
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
2-amino-4-methoxy-N-(2-methylcyclopentyl)benzamide
CID 115413242
2-amino-N-(2,3-dimethylcyclopentyl)-4-methoxybenzamide
CID 115413379
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide (CID 115412622) is 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC(C(N)=O)CC2)c(N)c1.
What is the InChIKey of 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide?
The InChIKey is CMRWCENEJJPSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-11-6-7-12(13(16)8-11)15(20)18-10-4-2-9(3-5-10)14(17)19/h6-10H,2-5,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide?
2-amino-N-(4-carbamoylcyclohexyl)-4-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 2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide is sourced from PubChem (CID 115412622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).