2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide

C14H19N3O — CID 63224513

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
SMILESCC(CC#N)N(C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(9-10-15)17(3)12(2)14(18)16-13-7-5-4-6-8-13/h4-8,11-12H,9H2,1-3H3,(H,16,18)
InChIKeyKDPLGMYICXXMQI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds5

About 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide

2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide (PubChem CID 63224513) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
PubChem CID63224513
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
SMILESCC(CC#N)N(C)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(9-10-15)17(3)12(2)14(18)16-13-7-5-4-6-8-13/h4-8,11-12H,9H2,1-3H3,(H,16,18)
InChIKeyKDPLGMYICXXMQI-UHFFFAOYSA-N
XLogP2.25
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
CID 116653105
2-methyl-N-phenylpentanamide
CID 4627801
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63224789
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 63228357
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide (CID 63224513) is 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide is CC(CC#N)N(C)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide?
The InChIKey is KDPLGMYICXXMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(9-10-15)17(3)12(2)14(18)16-13-7-5-4-6-8-13/h4-8,11-12H,9H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide?
2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 63224513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).