2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide

C16H24N2O3 — CID 91317315

IUPAC2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide
SMILESCCC(C)C(NC(=O)CCc1ccc(O)cc1)C(=O)NC
InChIInChI=1S/C16H24N2O3/c1-4-11(2)15(16(21)17-3)18-14(20)10-7-12-5-8-13(19)9-6-12/h5-6,8-9,11,15,19H,4,7,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyCVYPTSGORRRBOY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.60
Rot. Bonds7

About 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide

2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide (PubChem CID 91317315) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide
PubChem CID91317315
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide
SMILESCCC(C)C(NC(=O)CCc1ccc(O)cc1)C(=O)NC
InChIInChI=1S/C16H24N2O3/c1-4-11(2)15(16(21)17-3)18-14(20)10-7-12-5-8-13(19)9-6-12/h5-6,8-9,11,15,19H,4,7,10H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyCVYPTSGORRRBOY-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide 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-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881
(2S,3S)-3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]pentanoic acid
CID 119193799
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[4-(4-hydroxyphenyl)butanoylamino]-3-methylpentanamide
CID 163112651
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
(2S,3S)-3-methyl-N-(2-phenylethyl)-2-(3-sulfanylpropanoylamino)pentanamide
CID 10403882
3-methyl-2-(3-naphthalen-2-ylpropanoylamino)pentanamide
CID 142442459
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
N-(1-benzylpiperidin-4-yl)-3-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 42696307
(2S,3S)-N-[(2S)-1-[[(2S)-5-amino-1,5-dioxo-1-(2-phenylhydrazinyl)pentan-2-yl]amino]-1-oxopropan-2-yl]-2-[3-(4-fluorophenyl)propanoylamino]-3-methylpentanamide
CID 46879215
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
CID 42703705
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide (CID 91317315) is 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide is CCC(C)C(NC(=O)CCc1ccc(O)cc1)C(=O)NC.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide?
The InChIKey is CVYPTSGORRRBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-11(2)15(16(21)17-3)18-14(20)10-7-12-5-8-13(19)9-6-12/h5-6,8-9,11,15,19H,4,7,10H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide?
2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide has a molecular weight of 292.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide is sourced from PubChem (CID 91317315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).