4-methyl-N-(oxan-4-ylmethyl)benzamide

C14H19NO2 — CID 110736358

IUPAC4-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-2-4-13(5-3-11)14(16)15-10-12-6-8-17-9-7-12/h2-5,12H,6-10H2,1H3,(H,15,16)
InChIKeyXYRBHLWVVGVILG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-N-(oxan-4-ylmethyl)benzamide

4-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 110736358) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID110736358
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H19NO2/c1-11-2-4-13(5-3-11)14(16)15-10-12-6-8-17-9-7-12/h2-5,12H,6-10H2,1H3,(H,15,16)
InChIKeyXYRBHLWVVGVILG-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 126445963
4-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(oxan-4-ylmethyl)benzamide
CID 122563946
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)benzamide (CID 110736358) is 4-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-N-(oxan-4-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is XYRBHLWVVGVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-2-4-13(5-3-11)14(16)15-10-12-6-8-17-9-7-12/h2-5,12H,6-10H2,1H3,(H,15,16).
What are the key properties of 4-methyl-N-(oxan-4-ylmethyl)benzamide?
4-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 110736358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).