N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide

C18H21NO3 — CID 110781923

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
SMILESCCOc1ccc(CNC(=O)c2cccc(OC)c2)cc1C
InChIInChI=1S/C18H21NO3/c1-4-22-17-9-8-14(10-13(17)2)12-19-18(20)15-6-5-7-16(11-15)21-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyNZAOZHNOBLLZDS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.33
Rot. Bonds6

About N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide

N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide (PubChem CID 110781923) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
PubChem CID110781923
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
SMILESCCOc1ccc(CNC(=O)c2cccc(OC)c2)cc1C
InChIInChI=1S/C18H21NO3/c1-4-22-17-9-8-14(10-13(17)2)12-19-18(20)15-6-5-7-16(11-15)21-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyNZAOZHNOBLLZDS-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide 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-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
[4-[3-[(4-methoxyphenyl)methylcarbamoyl]phenoxy]-2-methylphenyl] acetate
CID 91183300
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110782051
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919
3-ethoxy-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55912136
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
3-ethoxy-4-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39508576

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide (CID 110781923) is N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide is CCOc1ccc(CNC(=O)c2cccc(OC)c2)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide?
The InChIKey is NZAOZHNOBLLZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-22-17-9-8-14(10-13(17)2)12-19-18(20)15-6-5-7-16(11-15)21-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide?
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 110781923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).