3-hydroxy-4-(4-pentylphenoxy)benzamide

C18H21NO3 — CID 166015390

IUPAC3-hydroxy-4-(4-pentylphenoxy)benzamide
SMILESCCCCCc1ccc(Oc2ccc(C(N)=O)cc2O)cc1
InChIInChI=1S/C18H21NO3/c1-2-3-4-5-13-6-9-15(10-7-13)22-17-11-8-14(18(19)21)12-16(17)20/h6-12,20H,2-5H2,1H3,(H2,19,21)
InChIKeyLRCOOGFVNQJKIK-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.02
Rot. Bonds7

About 3-hydroxy-4-(4-pentylphenoxy)benzamide

3-hydroxy-4-(4-pentylphenoxy)benzamide (PubChem CID 166015390) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-hydroxy-4-(4-pentylphenoxy)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-(4-pentylphenoxy)benzamide
PubChem CID166015390
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-hydroxy-4-(4-pentylphenoxy)benzamide
SMILESCCCCCc1ccc(Oc2ccc(C(N)=O)cc2O)cc1
InChIInChI=1S/C18H21NO3/c1-2-3-4-5-13-6-9-15(10-7-13)22-17-11-8-14(18(19)21)12-16(17)20/h6-12,20H,2-5H2,1H3,(H2,19,21)
InChIKeyLRCOOGFVNQJKIK-UHFFFAOYSA-N
XLogP4.02
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-(4-pentylphenoxy)benzamide 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

3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
4-(4-hexylphenoxy)-3-hydroxybenzenesulfonic acid
CID 101291422
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
4-octylbenzamide;hydrochloride
CID 131740255
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
ethyl 4-(4-hexylphenoxy)benzoate
CID 142414889
methyl 4-(4-pentylphenoxy)benzoate
CID 142415116
5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
CID 158011620
2-(4-dodecylphenoxy)-5-hydroxybenzenesulfonic acid
CID 101296012

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-pentylphenoxy)benzamide?
The IUPAC name of 3-hydroxy-4-(4-pentylphenoxy)benzamide (CID 166015390) is 3-hydroxy-4-(4-pentylphenoxy)benzamide.
What is the SMILES notation for 3-hydroxy-4-(4-pentylphenoxy)benzamide?
The canonical SMILES for 3-hydroxy-4-(4-pentylphenoxy)benzamide is CCCCCc1ccc(Oc2ccc(C(N)=O)cc2O)cc1.
What is the InChIKey of 3-hydroxy-4-(4-pentylphenoxy)benzamide?
The InChIKey is LRCOOGFVNQJKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-3-4-5-13-6-9-15(10-7-13)22-17-11-8-14(18(19)21)12-16(17)20/h6-12,20H,2-5H2,1H3,(H2,19,21).
What are the key properties of 3-hydroxy-4-(4-pentylphenoxy)benzamide?
3-hydroxy-4-(4-pentylphenoxy)benzamide has a molecular weight of 299.37 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-pentylphenoxy)benzamide is sourced from PubChem (CID 166015390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).