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

C16H24N2O2 — CID 106591466

IUPAC2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
SMILESCC(C(=O)NCCOC1CCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-12(13-5-4-6-14(17)11-13)16(19)18-9-10-20-15-7-2-3-8-15/h4-6,11-12,15H,2-3,7-10,17H2,1H3,(H,18,19)
InChIKeyQQBYUYJKMJHBFK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds6

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

2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide (PubChem CID 106591466) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
PubChem CID106591466
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
SMILESCC(C(=O)NCCOC1CCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-12(13-5-4-6-14(17)11-13)16(19)18-9-10-20-15-7-2-3-8-15/h4-6,11-12,15H,2-3,7-10,17H2,1H3,(H,18,19)
InChIKeyQQBYUYJKMJHBFK-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
2-chloro-N-(2-cyclopentyloxyethyl)-2-phenylacetamide
CID 63826472
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
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-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 106591770
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
3-amino-N-(2-cyclopentyloxyethyl)-2-phenylpropanamide;hydrochloride
CID 119737692

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide (CID 106591466) is 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide is CC(C(=O)NCCOC1CCCC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide?
The InChIKey is QQBYUYJKMJHBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-5-4-6-14(17)11-13)16(19)18-9-10-20-15-7-2-3-8-15/h4-6,11-12,15H,2-3,7-10,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide?
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide is sourced from PubChem (CID 106591466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).