3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide

C14H19NO2 — CID 176508222

IUPAC3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide
SMILESC=Cc1cc(C(=O)NCC(C)C)ccc1OC
InChIInChI=1S/C14H19NO2/c1-5-11-8-12(6-7-13(11)17-4)14(16)15-9-10(2)3/h5-8,10H,1,9H2,2-4H3,(H,15,16)
InChIKeyJLUAJOQMWQTGOU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds5

About 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide

3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 176508222) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide
PubChem CID176508222
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide
SMILESC=Cc1cc(C(=O)NCC(C)C)ccc1OC
InChIInChI=1S/C14H19NO2/c1-5-11-8-12(6-7-13(11)17-4)14(16)15-9-10(2)3/h5-8,10H,1,9H2,2-4H3,(H,15,16)
InChIKeyJLUAJOQMWQTGOU-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 119998178
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177
4-[2-[(4-carbamimidoylanilino)methyl]-4-ethenyl-5-methoxyphenyl]-N-(2-methylpropyl)benzamide
CID 11487905
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide (CID 176508222) is 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide is C=Cc1cc(C(=O)NCC(C)C)ccc1OC.
What is the InChIKey of 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide?
The InChIKey is JLUAJOQMWQTGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-11-8-12(6-7-13(11)17-4)14(16)15-9-10(2)3/h5-8,10H,1,9H2,2-4H3,(H,15,16).
What are the key properties of 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide?
3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 176508222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).