N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide

C20H25NO3 — CID 139995806

IUPACN-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(CC(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-2-3-4-13-24-19-11-7-16(8-12-19)14-20(23)21-15-17-5-9-18(22)10-6-17/h5-12,22H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyGCZQMYUTABOLSJ-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.82
Rot. Bonds9

About N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide

N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide (PubChem CID 139995806) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
PubChem CID139995806
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(CC(=O)NCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-2-3-4-13-24-19-11-7-16(8-12-19)14-20(23)21-15-17-5-9-18(22)10-6-17/h5-12,22H,2-4,13-15H2,1H3,(H,21,23)
InChIKeyGCZQMYUTABOLSJ-UHFFFAOYSA-N
XLogP3.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide 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-oxo-4-[(4-pentoxyphenyl)methylamino]butanoic acid
CID 9151485
2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride
CID 3026080
4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247424
4-octadecoxyphenol
CID 22179059
2-(4-pentoxyphenyl)acetate
CID 7009494
butyl N-[(4-hydroxyphenyl)methyl]carbamate
CID 67634230
N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
CID 166421133
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide (CID 139995806) is N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide is CCCCCOc1ccc(CC(=O)NCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide?
The InChIKey is GCZQMYUTABOLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-3-4-13-24-19-11-7-16(8-12-19)14-20(23)21-15-17-5-9-18(22)10-6-17/h5-12,22H,2-4,13-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide?
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide is sourced from PubChem (CID 139995806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).