2-amino-N-(3-ethylcyclohexyl)benzamide

C15H22N2O — CID 64743131

IUPAC2-amino-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18)
InChIKeyVGIOMSBVMDWYGH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.97
Rot. Bonds3

About 2-amino-N-(3-ethylcyclohexyl)benzamide

2-amino-N-(3-ethylcyclohexyl)benzamide (PubChem CID 64743131) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-(3-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylcyclohexyl)benzamide
PubChem CID64743131
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2ccccc2N)C1
InChIInChI=1S/C15H22N2O/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18)
InChIKeyVGIOMSBVMDWYGH-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
2-amino-N-[3-(dimethylamino)cyclohexyl]benzamide;dihydrochloride
CID 119947270
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 64748044
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylcyclohexyl)benzamide?
The IUPAC name of 2-amino-N-(3-ethylcyclohexyl)benzamide (CID 64743131) is 2-amino-N-(3-ethylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-ethylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-N-(3-ethylcyclohexyl)benzamide is CCC1CCCC(NC(=O)c2ccccc2N)C1.
What is the InChIKey of 2-amino-N-(3-ethylcyclohexyl)benzamide?
The InChIKey is VGIOMSBVMDWYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)16/h3-4,8-9,11-12H,2,5-7,10,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3-ethylcyclohexyl)benzamide?
2-amino-N-(3-ethylcyclohexyl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylcyclohexyl)benzamide is sourced from PubChem (CID 64743131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).