2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide

C16H24N2O2 — CID 64749007

IUPAC2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
SMILESCCC1CCCC(NC(=O)c2cc(OC)ccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-3-11-5-4-6-12(9-11)18-16(19)14-10-13(20-2)7-8-15(14)17/h7-8,10-12H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyQTDKDYSCZGSIME-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide

2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide (PubChem CID 64749007) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
PubChem CID64749007
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
SMILESCCC1CCCC(NC(=O)c2cc(OC)ccc2N)C1
InChIInChI=1S/C16H24N2O2/c1-3-11-5-4-6-12(9-11)18-16(19)14-10-13(20-2)7-8-15(14)17/h7-8,10-12H,3-6,9,17H2,1-2H3,(H,18,19)
InChIKeyQTDKDYSCZGSIME-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide (CID 64749007) is 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide is CCC1CCCC(NC(=O)c2cc(OC)ccc2N)C1.
What is the InChIKey of 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide?
The InChIKey is QTDKDYSCZGSIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11-5-4-6-12(9-11)18-16(19)14-10-13(20-2)7-8-15(14)17/h7-8,10-12H,3-6,9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide?
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide is sourced from PubChem (CID 64749007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).