3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide

C20H26N2O — CID 109020264

IUPAC3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
SMILESCC(NCCC(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-17(19-12-6-3-7-13-19)21-16-14-20(23)22-15-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,21H,8,11,14-16H2,1H3,(H,22,23)
InChIKeyYWJXALMZUQPZJQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.48
Rot. Bonds9

About 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide

3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide (PubChem CID 109020264) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
PubChem CID109020264
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
SMILESCC(NCCC(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-17(19-12-6-3-7-13-19)21-16-14-20(23)22-15-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,21H,8,11,14-16H2,1H3,(H,22,23)
InChIKeyYWJXALMZUQPZJQ-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 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 ≤ 53.48
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

3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
3-(1-phenylethylamino)propanoic acid
CID 2826777
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
3-(ethylamino)-N-(3-phenylpropyl)butanamide
CID 62839193
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide (CID 109020264) is 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide is CC(NCCC(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide?
The InChIKey is YWJXALMZUQPZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-17(19-12-6-3-7-13-19)21-16-14-20(23)22-15-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,17,21H,8,11,14-16H2,1H3,(H,22,23).
What are the key properties of 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide?
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 109020264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).