4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide

C17H26N2O — CID 64748627

IUPAC4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2ccc(CCN)cc2)C1
InChIInChI=1S/C17H26N2O/c1-2-13-4-3-5-16(12-13)19-17(20)15-8-6-14(7-9-15)10-11-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)
InChIKeyQFSBBHMFVFEKMY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds5

About 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide

4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide (PubChem CID 64748627) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
PubChem CID64748627
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2ccc(CCN)cc2)C1
InChIInChI=1S/C17H26N2O/c1-2-13-4-3-5-16(12-13)19-17(20)15-8-6-14(7-9-15)10-11-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20)
InChIKeyQFSBBHMFVFEKMY-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide 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

3-(aminomethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748016
3-amino-4-(dimethylamino)-N-(3-ethylcyclohexyl)benzamide
CID 64747811
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
4-butyl-N-cyclopentylbenzamide
CID 60674795
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
N-[3-(chloromethyl)cyclohexyl]-4-iodobenzamide
CID 112752839
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-N-(3-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349702
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide (CID 64748627) is 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide is CCC1CCCC(NC(=O)c2ccc(CCN)cc2)C1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide?
The InChIKey is QFSBBHMFVFEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-4-3-5-16(12-13)19-17(20)15-8-6-14(7-9-15)10-11-18/h6-9,13,16H,2-5,10-12,18H2,1H3,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide?
4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide has a molecular weight of 274.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-ethylcyclohexyl)benzamide is sourced from PubChem (CID 64748627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).