N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide

C18H21NO4 — CID 72929504

IUPACN-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide
SMILESCCNC(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H21NO4/c1-5-19-18(20)13-8-6-12(7-9-13)14-10-11-15(21-2)17(23-4)16(14)22-3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyZUWUKFHERGQDQD-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.13
Rot. Bonds6

About N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide

N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide (PubChem CID 72929504) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide
PubChem CID72929504
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide
SMILESCCNC(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C18H21NO4/c1-5-19-18(20)13-8-6-12(7-9-13)14-10-11-15(21-2)17(23-4)16(14)22-3/h6-11H,5H2,1-4H3,(H,19,20)
InChIKeyZUWUKFHERGQDQD-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-2-[4-(2,3,4-trimethoxyphenyl)phenyl]acetaldehyde
CID 39233741
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
4-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 15011206
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731
N-[[2,3-dimethoxy-6-(1-oxo-3H-2-benzofuran-5-yl)phenoxy]methyl]benzamide
CID 123360585
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
methyl 2-amino-5-(2,3,4-trimethoxyphenyl)benzoate
CID 82572924
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
N-ethyl-3-(4-fluoro-2-methoxyphenyl)benzamide
CID 56709113
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide?
The IUPAC name of N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide (CID 72929504) is N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide.
What is the SMILES notation for N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide?
The canonical SMILES for N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide is CCNC(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide?
The InChIKey is ZUWUKFHERGQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-5-19-18(20)13-8-6-12(7-9-13)14-10-11-15(21-2)17(23-4)16(14)22-3/h6-11H,5H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide?
N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,3,4-trimethoxyphenyl)benzamide is sourced from PubChem (CID 72929504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).