3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide

C20H26N2O — CID 109020589

IUPAC3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
SMILESCN(CCC(=O)NCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-22(17-19-11-6-3-7-12-19)16-14-20(23)21-15-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3,(H,21,23)
InChIKeyPHEKXIIWOKFWOE-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.26
Rot. Bonds9

About 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide

3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide (PubChem CID 109020589) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
PubChem CID109020589
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
SMILESCN(CCC(=O)NCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H26N2O/c1-22(17-19-11-6-3-7-12-19)16-14-20(23)21-15-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3,(H,21,23)
InChIKeyPHEKXIIWOKFWOE-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
CID 166850502
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide (CID 109020589) is 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide is CN(CCC(=O)NCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide?
The InChIKey is PHEKXIIWOKFWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-22(17-19-11-6-3-7-12-19)16-14-20(23)21-15-8-13-18-9-4-2-5-10-18/h2-7,9-12H,8,13-17H2,1H3,(H,21,23).
What are the key properties of 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide?
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 109020589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).