N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide

C15H23NO2 — CID 110025972

IUPACN-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
SMILESCCC(C)C(C)C(=O)Nc1cc(CO)ccc1C
InChIInChI=1S/C15H23NO2/c1-5-10(2)12(4)15(18)16-14-8-13(9-17)7-6-11(14)3/h6-8,10,12,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyNDAYBVUXDDMTOH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds5

About N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide

N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide (PubChem CID 110025972) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
PubChem CID110025972
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
SMILESCCC(C)C(C)C(=O)Nc1cc(CO)ccc1C
InChIInChI=1S/C15H23NO2/c1-5-10(2)12(4)15(18)16-14-8-13(9-17)7-6-11(14)3/h6-8,10,12,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyNDAYBVUXDDMTOH-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(hydroxymethyl)-2-methylphenyl]-5-methoxy-2-methylpentanamide
CID 110000349
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
CID 97249140
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
(2S,3S)-N-(5-acetamido-2-methylphenyl)-2-amino-3-methylpentanamide
CID 61154615
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
CID 110025985
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494768
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
(2S)-2-amino-N-(5-cyano-2-methylphenyl)-3-methylpentanamide
CID 62105604
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide (CID 110025972) is N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide is CCC(C)C(C)C(=O)Nc1cc(CO)ccc1C.
What is the InChIKey of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide?
The InChIKey is NDAYBVUXDDMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-10(2)12(4)15(18)16-14-8-13(9-17)7-6-11(14)3/h6-8,10,12,17H,5,9H2,1-4H3,(H,16,18).
What are the key properties of N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide?
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide is sourced from PubChem (CID 110025972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).