3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide

C20H26N2O — CID 120610401

IUPAC3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C20H26N2O/c21-19-13-7-6-12-18(19)14-15-20(23)22-16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-16,21H2,(H,22,23)
InChIKeyYBNHAQVDVIISSB-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.73
Rot. Bonds9

About 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide

3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide (PubChem CID 120610401) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
PubChem CID120610401
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C20H26N2O/c21-19-13-7-6-12-18(19)14-15-20(23)22-16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-16,21H2,(H,22,23)
InChIKeyYBNHAQVDVIISSB-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.73
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

N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-[3-(methanesulfonamido)propyl]propanamide
CID 107329565
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
(2S)-4-[3-(2-aminophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107836360
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
3-(2-aminophenyl)-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]propanamide;dihydrochloride
CID 120613441

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide (CID 120610401) is 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide is Nc1ccccc1CCC(=O)NCCCCCc1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide?
The InChIKey is YBNHAQVDVIISSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c21-19-13-7-6-12-18(19)14-15-20(23)22-16-8-2-5-11-17-9-3-1-4-10-17/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-16,21H2,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide?
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide is sourced from PubChem (CID 120610401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).