N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide

C13H16N2O2 — CID 103687130

IUPACN-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCC(CC#N)N(C)C(=O)C(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(8-9-14)15(2)13(17)12(16)11-6-4-3-5-7-11/h3-7,10,12,16H,8H2,1-2H3
InChIKeyAUSLEDGLOPPBQF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.48
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide

N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide (PubChem CID 103687130) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide
PubChem CID103687130
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCC(CC#N)N(C)C(=O)C(O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(8-9-14)15(2)13(17)12(16)11-6-4-3-5-7-11/h3-7,10,12,16H,8H2,1-2H3
InChIKeyAUSLEDGLOPPBQF-UHFFFAOYSA-N
XLogP1.48
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide 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

(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
CID 55174347
1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
phenyl N-(1-cyanopropan-2-yl)-N-methylcarbamate
CID 63225006
N-[(2S)-1-cyanopropan-2-yl]-N,3-dimethyl-3-phenylbutanamide
CID 95329458
N-(1-cyanopropan-2-yl)-N-methyl-2-(2-methylphenyl)acetamide
CID 63224539
3-benzyl-1-(1-cyanopropan-2-yl)-1-methylurea
CID 103746494
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
4-[1-cyanopropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 63223027
2-(2-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63222105
N-(1-cyanopropan-2-yl)-N,2,3-trimethylbenzamide
CID 63224492
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703438

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide (CID 103687130) is N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide is CC(CC#N)N(C)C(=O)C(O)c1ccccc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide?
The InChIKey is AUSLEDGLOPPBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(8-9-14)15(2)13(17)12(16)11-6-4-3-5-7-11/h3-7,10,12,16H,8H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide?
N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-hydroxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 103687130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).