3-(pentylamino)-N-(2-phenylethyl)propanamide

C16H26N2O — CID 109024121

IUPAC3-(pentylamino)-N-(2-phenylethyl)propanamide
SMILESCCCCCNCCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-7-12-17-13-11-16(19)18-14-10-15-8-5-4-6-9-15/h4-6,8-9,17H,2-3,7,10-14H2,1H3,(H,18,19)
InChIKeyKKQVHPONTSIEPL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds10

About 3-(pentylamino)-N-(2-phenylethyl)propanamide

3-(pentylamino)-N-(2-phenylethyl)propanamide (PubChem CID 109024121) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(pentylamino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(pentylamino)-N-(2-phenylethyl)propanamide
PubChem CID109024121
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(pentylamino)-N-(2-phenylethyl)propanamide
SMILESCCCCCNCCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-7-12-17-13-11-16(19)18-14-10-15-8-5-4-6-9-15/h4-6,8-9,17H,2-3,7,10-14H2,1H3,(H,18,19)
InChIKeyKKQVHPONTSIEPL-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(4-phenylbutyl)hexanamide
CID 4985988
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N-(2-phenylethyl)undecan-1-amine
CID 141108004
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
4-phenyl-N-[2-(propylamino)ethyl]butanamide
CID 62659370
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887

Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(pentylamino)-N-(2-phenylethyl)propanamide (CID 109024121) is 3-(pentylamino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(pentylamino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(pentylamino)-N-(2-phenylethyl)propanamide is CCCCCNCCC(=O)NCCc1ccccc1.
What is the InChIKey of 3-(pentylamino)-N-(2-phenylethyl)propanamide?
The InChIKey is KKQVHPONTSIEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-7-12-17-13-11-16(19)18-14-10-15-8-5-4-6-9-15/h4-6,8-9,17H,2-3,7,10-14H2,1H3,(H,18,19).
What are the key properties of 3-(pentylamino)-N-(2-phenylethyl)propanamide?
3-(pentylamino)-N-(2-phenylethyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 109024121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).