2,3,4-trimethoxy-N-prop-2-enylbenzamide

C13H17NO4 — CID 7971428

IUPAC2,3,4-trimethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C13H17NO4/c1-5-8-14-13(15)9-6-7-10(16-2)12(18-4)11(9)17-3/h5-7H,1,8H2,2-4H3,(H,14,15)
InChIKeyOYKKEDDAXYZDKR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.63
Rot. Bonds6

About 2,3,4-trimethoxy-N-prop-2-enylbenzamide

2,3,4-trimethoxy-N-prop-2-enylbenzamide (PubChem CID 7971428) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-prop-2-enylbenzamide
PubChem CID7971428
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2,3,4-trimethoxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C13H17NO4/c1-5-8-14-13(15)9-6-7-10(16-2)12(18-4)11(9)17-3/h5-7H,1,8H2,2-4H3,(H,14,15)
InChIKeyOYKKEDDAXYZDKR-UHFFFAOYSA-N
XLogP1.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
CID 110763319
4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
CID 110763144
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(2-cyanoethyl)-2,3,4-trimethoxybenzamide
CID 55023434
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
CID 60816133
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
N-(3-chloro-2-methylpropyl)-2,3,4-trimethoxybenzamide
CID 114302515
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3,4-trimethoxybenzamide
CID 90523042

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-prop-2-enylbenzamide?
The IUPAC name of 2,3,4-trimethoxy-N-prop-2-enylbenzamide (CID 7971428) is 2,3,4-trimethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-prop-2-enylbenzamide?
The InChIKey is OYKKEDDAXYZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-5-8-14-13(15)9-6-7-10(16-2)12(18-4)11(9)17-3/h5-7H,1,8H2,2-4H3,(H,14,15).
What are the key properties of 2,3,4-trimethoxy-N-prop-2-enylbenzamide?
2,3,4-trimethoxy-N-prop-2-enylbenzamide has a molecular weight of 251.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 7971428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).