2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide

C14H19NO3 — CID 103742541

IUPAC2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2O)CCOCC1
InChIInChI=1S/C14H19NO3/c1-14(6-8-18-9-7-14)10-15-13(17)11-4-2-3-5-12(11)16/h2-5,16H,6-10H2,1H3,(H,15,17)
InChIKeyOWFZAEWPQDNIBI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.94
Rot. Bonds3

About 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide

2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide (PubChem CID 103742541) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
PubChem CID103742541
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccccc2O)CCOCC1
InChIInChI=1S/C14H19NO3/c1-14(6-8-18-9-7-14)10-15-13(17)11-4-2-3-5-12(11)16/h2-5,16H,6-10H2,1H3,(H,15,17)
InChIKeyOWFZAEWPQDNIBI-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide
CID 136577715
2-chloro-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 103742502
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
4-bromo-3-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103873712
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide (CID 103742541) is 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide is CC1(CNC(=O)c2ccccc2O)CCOCC1.
What is the InChIKey of 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
The InChIKey is OWFZAEWPQDNIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(6-8-18-9-7-14)10-15-13(17)11-4-2-3-5-12(11)16/h2-5,16H,6-10H2,1H3,(H,15,17).
What are the key properties of 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide?
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 103742541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).