N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide

C18H21NO4 — CID 17070136

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-4-23-15-8-6-5-7-14(15)18(20)19-12-13-9-10-16(21-2)17(11-13)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyXFZUOKSZQPOCFZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.03
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide

N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide (PubChem CID 17070136) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
PubChem CID17070136
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-4-23-15-8-6-5-7-14(15)18(20)19-12-13-9-10-16(21-2)17(11-13)22-3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyXFZUOKSZQPOCFZ-UHFFFAOYSA-N
XLogP3.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 51143121
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
2-ethoxy-N-(pyridin-1-ium-3-ylmethyl)benzamide
CID 4739481
[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]boronic acid
CID 140927924
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide (CID 17070136) is N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide?
The InChIKey is XFZUOKSZQPOCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-23-15-8-6-5-7-14(15)18(20)19-12-13-9-10-16(21-2)17(11-13)22-3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 17070136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).