3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide

C13H19NO2 — CID 167668022

IUPAC3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C)c(C)c(CO)c1
InChIInChI=1S/C13H19NO2/c1-9-6-11(4-5-13(16)14-3)7-12(8-15)10(9)2/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyOVJUECWVSVJLGN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds4

About 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide

3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide (PubChem CID 167668022) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide
PubChem CID167668022
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1cc(C)c(C)c(CO)c1
InChIInChI=1S/C13H19NO2/c1-9-6-11(4-5-13(16)14-3)7-12(8-15)10(9)2/h6-7,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyOVJUECWVSVJLGN-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
3-(5-bromo-2-methylphenyl)-N-methylpropanamide
CID 175640047
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
3-[4-(hydroxymethyl)-N,2-dimethylanilino]-N-methylpropanamide
CID 106916334
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylpropanamide;propane
CID 142558013
N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
CID 94273911
3-[2,6-bis[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-4-pyridinyl]-N-methylpropanamide
CID 58828221
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N,N-dimethyl-3-(3,4,5-trimethylphenyl)propanamide;3-(3,4,5-trimethylphenyl)propanoic acid
CID 161469561
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
N-methyl-2-(2,3,5,6-tetramethylphenoxy)acetamide
CID 894749
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide?
The IUPAC name of 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide (CID 167668022) is 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide is CNC(=O)CCc1cc(C)c(C)c(CO)c1.
What is the InChIKey of 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide?
The InChIKey is OVJUECWVSVJLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-11(4-5-13(16)14-3)7-12(8-15)10(9)2/h6-7,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide?
3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-4,5-dimethylphenyl]-N-methylpropanamide is sourced from PubChem (CID 167668022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).