N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide

C15H23NO2 — CID 115767191

IUPACN-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(CCO)NC(=O)CCc1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-3-14(9-10-17)16-15(18)8-7-13-6-4-5-12(2)11-13/h4-6,11,14,17H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyNESTZFVCRKVZJJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.20
Rot. Bonds7

About N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide

N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide (PubChem CID 115767191) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
PubChem CID115767191
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(CCO)NC(=O)CCc1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-3-14(9-10-17)16-15(18)8-7-13-6-4-5-12(2)11-13/h4-6,11,14,17H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyNESTZFVCRKVZJJ-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-hydroxypentan-3-yl)-3-(3-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

N-(1-aminobutan-2-yl)-3-(3-methylphenyl)propanamide
CID 63754828
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-(5-bromopentan-2-yl)-3-(3-methylphenyl)propanamide
CID 113276046
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
CID 62521751
N-(2-chloro-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114300070
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-methylphenyl)propanamide
CID 51315397
N-[1-(4-bromophenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 60700309
N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide (CID 115767191) is N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide is CCC(CCO)NC(=O)CCc1cccc(C)c1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is NESTZFVCRKVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-14(9-10-17)16-15(18)8-7-13-6-4-5-12(2)11-13/h4-6,11,14,17H,3,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide?
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 115767191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).