3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide

C20H25NO4 — CID 71822422

IUPAC3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C20H25NO4/c1-4-23-17-10-8-7-9-16(17)14-21-20(22)15-11-12-18(24-5-2)19(13-15)25-6-3/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChIKeyQTRUELGJHUZBHD-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.81
Rot. Bonds9

About 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide

3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide (PubChem CID 71822422) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
PubChem CID71822422
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
SMILESCCOc1ccccc1CNC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C20H25NO4/c1-4-23-17-10-8-7-9-16(17)14-21-20(22)15-11-12-18(24-5-2)19(13-15)25-6-3/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChIKeyQTRUELGJHUZBHD-UHFFFAOYSA-N
XLogP3.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]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

N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
CID 46456160
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55715428

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide (CID 71822422) is 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide is CCOc1ccccc1CNC(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide?
The InChIKey is QTRUELGJHUZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-23-17-10-8-7-9-16(17)14-21-20(22)15-11-12-18(24-5-2)19(13-15)25-6-3/h7-13H,4-6,14H2,1-3H3,(H,21,22).
What are the key properties of 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide?
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 71822422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).