2,4-dimethyl-N-(oxan-4-yl)benzamide

C14H19NO2 — CID 70845723

IUPAC2,4-dimethyl-N-(oxan-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCOCC2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-13(11(2)9-10)14(16)15-12-5-7-17-8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,15,16)
InChIKeyYXGAJGYOUDGVGQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds2

About 2,4-dimethyl-N-(oxan-4-yl)benzamide

2,4-dimethyl-N-(oxan-4-yl)benzamide (PubChem CID 70845723) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(oxan-4-yl)benzamide
PubChem CID70845723
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,4-dimethyl-N-(oxan-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCOCC2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-13(11(2)9-10)14(16)15-12-5-7-17-8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,15,16)
InChIKeyYXGAJGYOUDGVGQ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
N-cyclobutyl-4-hydroxy-2-methylbenzamide
CID 103865467
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
CID 169452441
2-(ethylamino)-4-methyl-N-(oxolan-3-yl)benzamide
CID 80714846
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
6-chloro-2-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 168678064

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(oxan-4-yl)benzamide (CID 70845723) is 2,4-dimethyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(oxan-4-yl)benzamide is Cc1ccc(C(=O)NC2CCOCC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(oxan-4-yl)benzamide?
The InChIKey is YXGAJGYOUDGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-13(11(2)9-10)14(16)15-12-5-7-17-8-6-12/h3-4,9,12H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-N-(oxan-4-yl)benzamide?
2,4-dimethyl-N-(oxan-4-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 70845723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).