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

C25H28N2O — CID 8730291

IUPAC2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-27(20-24(28)26-19-11-14-21-12-5-2-6-13-21)25(22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,12-13,15-18,25H,11,14,19-20H2,1H3,(H,26,28)
InChIKeyVHJOIEVMZLAQTP-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.46
Rot. Bonds9

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

2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 8730291) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID8730291
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CC(=O)NCCCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O/c1-27(20-24(28)26-19-11-14-21-12-5-2-6-13-21)25(22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,12-13,15-18,25H,11,14,19-20H2,1H3,(H,26,28)
InChIKeyVHJOIEVMZLAQTP-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.46
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-[benzhydryl(3-hydroxypropyl)amino]-N-(3-phenylpropyl)acetamide
CID 56584229
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8730033
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide (CID 8730291) is 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide is CN(CC(=O)NCCCc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is VHJOIEVMZLAQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-27(20-24(28)26-19-11-14-21-12-5-2-6-13-21)25(22-15-7-3-8-16-22)23-17-9-4-10-18-23/h2-10,12-13,15-18,25H,11,14,19-20H2,1H3,(H,26,28).
What are the key properties of 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide?
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 372.51 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 8730291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).