N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide

C15H23NO2 — CID 115187214

IUPACN-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
SMILESCCc1ccc(N(C)C(=O)C(CO)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-12-6-8-13(9-7-12)16(4)15(18)14(10-17)11(2)3/h6-9,11,14,17H,5,10H2,1-4H3
InChIKeyYHTZEKBIIUVZSX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds5

About N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide

N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide (PubChem CID 115187214) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
PubChem CID115187214
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
SMILESCCc1ccc(N(C)C(=O)C(CO)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-5-12-6-8-13(9-7-12)16(4)15(18)14(10-17)11(2)3/h6-9,11,14,17H,5,10H2,1-4H3
InChIKeyYHTZEKBIIUVZSX-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187219
(2R)-2-amino-N-(4-ethylphenyl)-N,4-dimethylpentanamide
CID 104903373
2-(hydroxymethyl)-N,3-dimethyl-N-pyridin-3-ylbutanamide
CID 115187257
2-[[[(4-ethylphenyl)-methylcarbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65221939
N-(4-ethylphenyl)-N-methyl-2-oxopropanamide
CID 115175422
3-hydroxy-N-(4-hydroxyphenyl)-N,2-dimethylpropanamide
CID 134339239
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
2-bromo-N-(4-ethylphenyl)-N,2-dimethylpropanamide
CID 114328563
3-amino-1-(4-ethylphenyl)-1-methylurea
CID 62003089
N-(5-bromothiophen-2-yl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187232
2-(hydroxymethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 115187356
(2S)-2-amino-3-(3,5-difluorophenyl)-N-(4-ethylphenyl)-N-methylpropanamide;sulfane
CID 161382530

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide (CID 115187214) is N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide is CCc1ccc(N(C)C(=O)C(CO)C(C)C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The InChIKey is YHTZEKBIIUVZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12-6-8-13(9-7-12)16(4)15(18)14(10-17)11(2)3/h6-9,11,14,17H,5,10H2,1-4H3.
What are the key properties of N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide?
N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115187214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).