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

C21H28N2O — CID 46532557

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
SMILESCN(CCCNC(=O)C(C)(C)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-21(2,19-13-8-5-9-14-19)20(24)22-15-10-16-23(3)17-18-11-6-4-7-12-18/h4-9,11-14H,10,15-17H2,1-3H3,(H,22,24)
InChIKeyYZRIODVWXWWGGB-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.60
Rot. Bonds8

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

N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide (PubChem CID 46532557) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
PubChem CID46532557
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
SMILESCN(CCCNC(=O)C(C)(C)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-21(2,19-13-8-5-9-14-19)20(24)22-15-10-16-23(3)17-18-11-6-4-7-12-18/h4-9,11-14H,10,15-17H2,1-3H3,(H,22,24)
InChIKeyYZRIODVWXWWGGB-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.60
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

N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
1-[3-[benzyl(methyl)amino]propyl]-3-(2,2,2-trifluoroethyl)urea
CID 115582781
3-[3-[benzyl(methyl)amino]propylcarbamoylamino]-4,4-dimethylpentanoic acid
CID 113340772
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide (CID 46532557) is N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide is CN(CCCNC(=O)C(C)(C)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide?
The InChIKey is YZRIODVWXWWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-21(2,19-13-8-5-9-14-19)20(24)22-15-10-16-23(3)17-18-11-6-4-7-12-18/h4-9,11-14H,10,15-17H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide?
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide has a molecular weight of 324.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 46532557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).