N-ethenyl-3,4,5-trimethoxybenzamide

C12H15NO4 — CID 102575963

IUPACN-ethenyl-3,4,5-trimethoxybenzamide
SMILESC=CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-5-13-12(14)8-6-9(15-2)11(17-4)10(7-8)16-3/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyIBBUECWYFPMKEC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.59
Rot. Bonds5

About N-ethenyl-3,4,5-trimethoxybenzamide

N-ethenyl-3,4,5-trimethoxybenzamide (PubChem CID 102575963) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-ethenyl-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-ethenyl-3,4,5-trimethoxybenzamide
PubChem CID102575963
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-ethenyl-3,4,5-trimethoxybenzamide
SMILESC=CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H15NO4/c1-5-13-12(14)8-6-9(15-2)11(17-4)10(7-8)16-3/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyIBBUECWYFPMKEC-UHFFFAOYSA-N
XLogP1.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 110280309
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
CID 121012209
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
N-[2-(diethylcarbamoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108570778
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
3,4,5-trimethoxy-N-(propylideneamino)benzamide
CID 3317143
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3,4,5-trimethoxybenzamide?
The IUPAC name of N-ethenyl-3,4,5-trimethoxybenzamide (CID 102575963) is N-ethenyl-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-ethenyl-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-ethenyl-3,4,5-trimethoxybenzamide is C=CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethenyl-3,4,5-trimethoxybenzamide?
The InChIKey is IBBUECWYFPMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-5-13-12(14)8-6-9(15-2)11(17-4)10(7-8)16-3/h5-7H,1H2,2-4H3,(H,13,14).
What are the key properties of N-ethenyl-3,4,5-trimethoxybenzamide?
N-ethenyl-3,4,5-trimethoxybenzamide has a molecular weight of 237.25 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 102575963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).