4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide

C13H17NO2 — CID 110763144

IUPAC4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C13H17NO2/c1-5-8-14-13(15)11-6-7-12(16-4)10(3)9(11)2/h5-7H,1,8H2,2-4H3,(H,14,15)
InChIKeyLCCIKKWQOKEXSY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.23
Rot. Bonds4

About 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide

4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide (PubChem CID 110763144) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
PubChem CID110763144
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC)c(C)c1C
InChIInChI=1S/C13H17NO2/c1-5-8-14-13(15)11-6-7-12(16-4)10(3)9(11)2/h5-7H,1,8H2,2-4H3,(H,14,15)
InChIKeyLCCIKKWQOKEXSY-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
N-(cyanomethyl)-4-methoxy-2,3-dimethylbenzamide
CID 82472071
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide (CID 110763144) is 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide?
The InChIKey is LCCIKKWQOKEXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-8-14-13(15)11-6-7-12(16-4)10(3)9(11)2/h5-7H,1,8H2,2-4H3,(H,14,15).
What are the key properties of 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide?
4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 110763144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).