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

C18H19N3O — CID 17405256

IUPAC2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(21(2)13-16-6-4-3-5-7-16)18(22)20-17-10-8-15(12-19)9-11-17/h3-11,14H,13H2,1-2H3,(H,20,22)
InChIKeyKIASIAGIWBRTNO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.02
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide

2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide (PubChem CID 17405256) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
PubChem CID17405256
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(21(2)13-16-6-4-3-5-7-16)18(22)20-17-10-8-15(12-19)9-11-17/h3-11,14H,13H2,1-2H3,(H,20,22)
InChIKeyKIASIAGIWBRTNO-UHFFFAOYSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
(2R)-N-(4-cyanophenyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propanamide
CID 2658774
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 8802663
(2R)-N-(4-cyanophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanamide
CID 9436928
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
(2R)-N-(4-cyanophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434065
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide (CID 17405256) is 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
The InChIKey is KIASIAGIWBRTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(21(2)13-16-6-4-3-5-7-16)18(22)20-17-10-8-15(12-19)9-11-17/h3-11,14H,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide?
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 17405256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).