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

C17H26N2O — CID 106006314

IUPAC2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
SMILESCC(C(=O)NCCCC1CCCC1)c1cccc(N)c1
InChIInChI=1S/C17H26N2O/c1-13(15-9-4-10-16(18)12-15)17(20)19-11-5-8-14-6-2-3-7-14/h4,9-10,12-14H,2-3,5-8,11,18H2,1H3,(H,19,20)
InChIKeyLKUZMSMXFRJDJC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.46
Rot. Bonds6

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

2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide (PubChem CID 106006314) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
PubChem CID106006314
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
SMILESCC(C(=O)NCCCC1CCCC1)c1cccc(N)c1
InChIInChI=1S/C17H26N2O/c1-13(15-9-4-10-16(18)12-15)17(20)19-11-5-8-14-6-2-3-7-14/h4,9-10,12-14H,2-3,5-8,11,18H2,1H3,(H,19,20)
InChIKeyLKUZMSMXFRJDJC-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 106591175

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide (CID 106006314) is 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide is CC(C(=O)NCCCC1CCCC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide?
The InChIKey is LKUZMSMXFRJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(15-9-4-10-16(18)12-15)17(20)19-11-5-8-14-6-2-3-7-14/h4,9-10,12-14H,2-3,5-8,11,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide?
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.46, 6 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-cyclopentylpropyl)propanamide is sourced from PubChem (CID 106006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).