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

C15H21N3O2 — CID 61291951

IUPAC5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O2/c1-9-2-5-11(16)8-13(9)15(20)18-12-6-3-10(4-7-12)14(17)19/h2,5,8,10,12H,3-4,6-7,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCMZYJJGIYLSBLA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.35
Rot. Bonds3

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

5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide (PubChem CID 61291951) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
PubChem CID61291951
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C15H21N3O2/c1-9-2-5-11(16)8-13(9)15(20)18-12-6-3-10(4-7-12)14(17)19/h2,5,8,10,12H,3-4,6-7,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyCMZYJJGIYLSBLA-UHFFFAOYSA-N
XLogP1.35
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
CID 120638870
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide (CID 61291951) is 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide?
The InChIKey is CMZYJJGIYLSBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-2-5-11(16)8-13(9)15(20)18-12-6-3-10(4-7-12)14(17)19/h2,5,8,10,12H,3-4,6-7,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide?
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide is sourced from PubChem (CID 61291951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).