N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide

C20H23N3O — CID 113230171

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
SMILESCN(CCCNC(=O)C(C#N)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N3O/c1-23(16-17-9-4-2-5-10-17)14-8-13-22-20(24)19(15-21)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-14,16H2,1H3,(H,22,24)
InChIKeyLAFCJTRVLQXIHZ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.93
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide

N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide (PubChem CID 113230171) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
PubChem CID113230171
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
SMILESCN(CCCNC(=O)C(C#N)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H23N3O/c1-23(16-17-9-4-2-5-10-17)14-8-13-22-20(24)19(15-21)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-14,16H2,1H3,(H,22,24)
InChIKeyLAFCJTRVLQXIHZ-UHFFFAOYSA-N
XLogP2.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-[benzyl(methyl)amino]-3-oxo-2-phenylbutanenitrile
CID 2337612
2-[3-[benzyl(methyl)amino]propylamino]-N-methylpropanamide
CID 43089029
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide (CID 113230171) is N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide is CN(CCCNC(=O)C(C#N)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide?
The InChIKey is LAFCJTRVLQXIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-23(16-17-9-4-2-5-10-17)14-8-13-22-20(24)19(15-21)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-14,16H2,1H3,(H,22,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide has a molecular weight of 321.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide is sourced from PubChem (CID 113230171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).