N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide

C14H21NO3 — CID 66171129

IUPACN-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(C)(O)CO)cc1
InChIInChI=1S/C14H21NO3/c1-11-3-5-12(6-4-11)7-8-13(17)15-9-14(2,18)10-16/h3-6,16,18H,7-10H2,1-2H3,(H,15,17)
InChIKeyGGLVKIYJUUQSAN-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide

N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide (PubChem CID 66171129) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
PubChem CID66171129
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(C)(O)CO)cc1
InChIInChI=1S/C14H21NO3/c1-11-3-5-12(6-4-11)7-8-13(17)15-9-14(2,18)10-16/h3-6,16,18H,7-10H2,1-2H3,(H,15,17)
InChIKeyGGLVKIYJUUQSAN-UHFFFAOYSA-N
XLogP0.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide 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

3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
N-(3-chloro-2,2-dimethylpropyl)-3-(4-methylphenyl)propanamide
CID 115364619
N-(4-bromo-2,2-dimethylbutyl)-3-(4-methylphenyl)propanamide
CID 114149427
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)butanamide
CID 177221343
4-[3-(4-ethylphenyl)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002697
N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
CID 64558137
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
CID 111463301

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide (CID 66171129) is N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(C)(O)CO)cc1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide?
The InChIKey is GGLVKIYJUUQSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-3-5-12(6-4-11)7-8-13(17)15-9-14(2,18)10-16/h3-6,16,18H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide?
N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 66171129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).