2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide

C15H19NO2 — CID 169452441

IUPAC2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
SMILESC=Cc1c(C)cccc1C(=O)NC1CCOCC1
InChIInChI=1S/C15H19NO2/c1-3-13-11(2)5-4-6-14(13)15(17)16-12-7-9-18-10-8-12/h3-6,12H,1,7-10H2,2H3,(H,16,17)
InChIKeyXEZHHDAWKCGTHL-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.55
Rot. Bonds3

About 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide

2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide (PubChem CID 169452441) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
PubChem CID169452441
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
SMILESC=Cc1c(C)cccc1C(=O)NC1CCOCC1
InChIInChI=1S/C15H19NO2/c1-3-13-11(2)5-4-6-14(13)15(17)16-12-7-9-18-10-8-12/h3-6,12H,1,7-10H2,2H3,(H,16,17)
InChIKeyXEZHHDAWKCGTHL-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-ethenyl-3-methylbenzamide
CID 169452426
N-cyclopentyl-2-ethenyl-3-methylbenzamide
CID 169452439
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
3-[2-methyl-3-(oxan-4-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 77073069
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide (CID 169452441) is 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide is C=Cc1c(C)cccc1C(=O)NC1CCOCC1.
What is the InChIKey of 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is XEZHHDAWKCGTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-13-11(2)5-4-6-14(13)15(17)16-12-7-9-18-10-8-12/h3-6,12H,1,7-10H2,2H3,(H,16,17).
What are the key properties of 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide?
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 245.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 169452441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).