4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide

C20H25NO3 — CID 86938100

IUPAC4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C20H25NO3/c1-4-23-14-18-9-7-6-8-17(18)13-21-20(22)16-10-11-19(24-5-2)15(3)12-16/h6-12H,4-5,13-14H2,1-3H3,(H,21,22)
InChIKeyQVRAURVXNQYNRT-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.86
Rot. Bonds8

About 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide

4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide (PubChem CID 86938100) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
PubChem CID86938100
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(OCC)c(C)c1
InChIInChI=1S/C20H25NO3/c1-4-23-14-18-9-7-6-8-17(18)13-21-20(22)16-10-11-19(24-5-2)15(3)12-16/h6-12H,4-5,13-14H2,1-3H3,(H,21,22)
InChIKeyQVRAURVXNQYNRT-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[[2-(ethoxymethyl)phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 37398463
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
4-ethoxy-3-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 100550465
3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556550
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide?
The IUPAC name of 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide (CID 86938100) is 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide is CCOCc1ccccc1CNC(=O)c1ccc(OCC)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide?
The InChIKey is QVRAURVXNQYNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-23-14-18-9-7-6-8-17(18)13-21-20(22)16-10-11-19(24-5-2)15(3)12-16/h6-12H,4-5,13-14H2,1-3H3,(H,21,22).
What are the key properties of 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide?
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 86938100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).