N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide

C14H21NO2 — CID 107231413

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C14H21NO2/c1-3-11(2)8-14(17)15-9-12-4-6-13(10-16)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyJWCIDFYGCIEZHD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds6

About N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide (PubChem CID 107231413) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
PubChem CID107231413
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C14H21NO2/c1-3-11(2)8-14(17)15-9-12-4-6-13(10-16)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyJWCIDFYGCIEZHD-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide 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

4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide
CID 106910059
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367
(3S)-5-[(4-chlorophenyl)methylamino]-3-methyl-5-oxopentanoate
CID 7036025
N-[[4-(hydroxymethyl)phenyl]methyl]-2-(2-methylhydrazinyl)acetamide
CID 153398330
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 60917827
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62964014

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide (CID 107231413) is N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide is CCC(C)CC(=O)NCc1ccc(CO)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide?
The InChIKey is JWCIDFYGCIEZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11(2)8-14(17)15-9-12-4-6-13(10-16)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 107231413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).