2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide

C19H24N2O — CID 78787240

IUPAC2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-21(15-18-11-6-3-7-12-18)16-19(22)20-14-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)
InChIKeyORCSABNKOYXWEK-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.87
Rot. Bonds8

About 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide

2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 78787240) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID78787240
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-21(15-18-11-6-3-7-12-18)16-19(22)20-14-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)
InChIKeyORCSABNKOYXWEK-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 8680286
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide (CID 78787240) is 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide is CN(CC(=O)NCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is ORCSABNKOYXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21(15-18-11-6-3-7-12-18)16-19(22)20-14-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,20,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 78787240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).