2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide

C17H26N2O — CID 106591528

IUPAC2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
SMILESCCC1CCCC(NC(=O)C(C)c2cccc(N)c2)C1
InChIInChI=1S/C17H26N2O/c1-3-13-6-4-9-16(10-13)19-17(20)12(2)14-7-5-8-15(18)11-14/h5,7-8,11-13,16H,3-4,6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyQWQMWCZINNQTFW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide

2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide (PubChem CID 106591528) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
PubChem CID106591528
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
SMILESCCC1CCCC(NC(=O)C(C)c2cccc(N)c2)C1
InChIInChI=1S/C17H26N2O/c1-3-13-6-4-9-16(10-13)19-17(20)12(2)14-7-5-8-15(18)11-14/h5,7-8,11-13,16H,3-4,6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyQWQMWCZINNQTFW-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.46
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

2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
3-amino-N-(3-ethylcyclohexyl)-2-phenyl-3-sulfanylidenepropanamide
CID 64748044
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
CID 106591319
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide (CID 106591528) is 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide is CCC1CCCC(NC(=O)C(C)c2cccc(N)c2)C1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide?
The InChIKey is QWQMWCZINNQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-13-6-4-9-16(10-13)19-17(20)12(2)14-7-5-8-15(18)11-14/h5,7-8,11-13,16H,3-4,6,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide?
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide is sourced from PubChem (CID 106591528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).