3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide

C15H23NO2 — CID 143274718

IUPAC3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)4-3-11-16-15(18)10-7-13-5-8-14(17)9-6-13/h5-6,8-9,12,17H,3-4,7,10-11H2,1-2H3,(H,16,18)
InChIKeyKASMNWNAFXKQFB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.88
Rot. Bonds7

About 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide

3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide (PubChem CID 143274718) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
PubChem CID143274718
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C15H23NO2/c1-12(2)4-3-11-16-15(18)10-7-13-5-8-14(17)9-6-13/h5-6,8-9,12,17H,3-4,7,10-11H2,1-2H3,(H,16,18)
InChIKeyKASMNWNAFXKQFB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
5-[3-(4-hydroxyphenyl)propanoylamino]pentanamide
CID 130436786
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
3-(4-chlorophenyl)-N-[(4S)-4-methylhex-5-enyl]propanamide
CID 142490411
5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
N-(2,4-dimethylpentan-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 177141881

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide (CID 143274718) is 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide is CC(C)CCCNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide?
The InChIKey is KASMNWNAFXKQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)4-3-11-16-15(18)10-7-13-5-8-14(17)9-6-13/h5-6,8-9,12,17H,3-4,7,10-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide?
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 143274718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).