N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide

C12H14N2O2 — CID 103429961

IUPACN-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2/c1-12(2,16)11(15)14(3)10-6-4-9(8-13)5-7-10/h4-7,16H,1-3H3
InChIKeyXWDJYWLXVMGPMS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.29
Rot. Bonds2

About N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide

N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 103429961) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
PubChem CID103429961
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O2/c1-12(2,16)11(15)14(3)10-6-4-9(8-13)5-7-10/h4-7,16H,1-3H3
InChIKeyXWDJYWLXVMGPMS-UHFFFAOYSA-N
XLogP1.29
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide 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-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
CID 114105638
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112827984
2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
CID 62819086
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175112
N-(4-cyanophenyl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967624
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
CID 115178682

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide (CID 103429961) is N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)O)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is XWDJYWLXVMGPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,16)11(15)14(3)10-6-4-9(8-13)5-7-10/h4-7,16H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide?
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103429961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).