2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide

C13H17NO3 — CID 110763319

IUPAC2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C13H17NO3/c1-5-8-14-13(15)10-6-7-11(16-3)9(2)12(10)17-4/h5-7H,1,8H2,2-4H3,(H,14,15)
InChIKeyIWSVOFZZXWMAML-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.93
Rot. Bonds5

About 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide

2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide (PubChem CID 110763319) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
PubChem CID110763319
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C13H17NO3/c1-5-8-14-13(15)10-6-7-11(16-3)9(2)12(10)17-4/h5-7H,1,8H2,2-4H3,(H,14,15)
InChIKeyIWSVOFZZXWMAML-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
CID 110763144
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
2,4-dimethoxy-3-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 110763344
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 110763343
N-[4-(dimethylamino)phenyl]-2,4-dimethoxy-3-methylbenzamide
CID 110763410
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
CID 68934311

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide (CID 110763319) is 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC)c(C)c1OC.
What is the InChIKey of 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide?
The InChIKey is IWSVOFZZXWMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-5-8-14-13(15)10-6-7-11(16-3)9(2)12(10)17-4/h5-7H,1,8H2,2-4H3,(H,14,15).
What are the key properties of 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide?
2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide has a molecular weight of 235.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 110763319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).