3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide

C18H21NO4 — CID 26864885

IUPAC3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)cc2O)cc1OCC
InChIInChI=1S/C18H21NO4/c1-4-22-16-9-7-13(11-17(16)23-5-2)18(21)19-14-8-6-12(3)10-15(14)20/h6-11,20H,4-5H2,1-3H3,(H,19,21)
InChIKeyAFCCEUJJGBSFFV-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.75
Rot. Bonds6

About 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide

3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide (PubChem CID 26864885) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
PubChem CID26864885
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)cc2O)cc1OCC
InChIInChI=1S/C18H21NO4/c1-4-22-16-9-7-13(11-17(16)23-5-2)18(21)19-14-8-6-12(3)10-15(14)20/h6-11,20H,4-5H2,1-3H3,(H,19,21)
InChIKeyAFCCEUJJGBSFFV-UHFFFAOYSA-N
XLogP3.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)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

3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
N'-(3,4-diethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600078
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide (CID 26864885) is 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(C)cc2O)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide?
The InChIKey is AFCCEUJJGBSFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-22-16-9-7-13(11-17(16)23-5-2)18(21)19-14-8-6-12(3)10-15(14)20/h6-11,20H,4-5H2,1-3H3,(H,19,21).
What are the key properties of 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide?
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 26864885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).