3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide

C18H19N3O — CID 28792972

IUPAC3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-18(22)20-17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
InChIKeyZFDOPBYTMMFCHX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.02
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide

3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide (PubChem CID 28792972) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
PubChem CID28792972
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-18(22)20-17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22)
InChIKeyZFDOPBYTMMFCHX-UHFFFAOYSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
2-[acetyl(3-phenylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 113165933
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide (CID 28792972) is 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide is CN(CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
The InChIKey is ZFDOPBYTMMFCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(14-16-5-3-2-4-6-16)12-11-18(22)20-17-9-7-15(13-19)8-10-17/h2-10H,11-12,14H2,1H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 28792972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).