2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide

C14H19NO3 — CID 61073826

IUPAC2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCOC2)c1O
InChIInChI=1S/C14H19NO3/c1-10-4-2-6-12(13(10)16)14(17)15-8-11-5-3-7-18-9-11/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,15,17)
InChIKeyYPSZHXNJDAJCNV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.86
Rot. Bonds3

About 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide

2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 61073826) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID61073826
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCOC2)c1O
InChIInChI=1S/C14H19NO3/c1-10-4-2-6-12(13(10)16)14(17)15-8-11-5-3-7-18-9-11/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,15,17)
InChIKeyYPSZHXNJDAJCNV-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
N-[[(3R)-oxan-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94194267
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
2-chloro-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115931070
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
N-[(1,1-dioxothiolan-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 81040165
1-(2-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-4-carboxamide
CID 146087948
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide (CID 61073826) is 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCC2CCCOC2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is YPSZHXNJDAJCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-4-2-6-12(13(10)16)14(17)15-8-11-5-3-7-18-9-11/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,15,17).
What are the key properties of 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide?
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 61073826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).