2-hydroxy-N-(4-methyloxan-4-yl)benzamide

C13H17NO3 — CID 113324402

IUPAC2-hydroxy-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccccc2O)CCOCC1
InChIInChI=1S/C13H17NO3/c1-13(6-8-17-9-7-13)14-12(16)10-4-2-3-5-11(10)15/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyGIKKJDSMTIIOOU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.69
Rot. Bonds2

About 2-hydroxy-N-(4-methyloxan-4-yl)benzamide

2-hydroxy-N-(4-methyloxan-4-yl)benzamide (PubChem CID 113324402) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-methyloxan-4-yl)benzamide
PubChem CID113324402
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccccc2O)CCOCC1
InChIInChI=1S/C13H17NO3/c1-13(6-8-17-9-7-13)14-12(16)10-4-2-3-5-11(10)15/h2-5,15H,6-9H2,1H3,(H,14,16)
InChIKeyGIKKJDSMTIIOOU-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
2-hydroxy-5-iodo-N-(4-methyloxan-4-yl)benzamide
CID 103525818
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
3-hydroxy-N-(3-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 115769327
3-fluoro-2-hydrazinyl-N-(4-methyloxan-4-yl)benzamide
CID 113491319
N-(4-methyloxan-4-yl)-1H-indole-4-carboxamide
CID 115759557
4-[(3-hydroxy-2-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 82826795
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-(methylamino)-N-(4-methyloxan-4-yl)-3-nitrobenzamide
CID 104773319
N-(4-methyloxan-4-yl)-4-sulfanylbenzamide
CID 107035610

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(4-methyloxan-4-yl)benzamide (CID 113324402) is 2-hydroxy-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2ccccc2O)CCOCC1.
What is the InChIKey of 2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is GIKKJDSMTIIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(6-8-17-9-7-13)14-12(16)10-4-2-3-5-11(10)15/h2-5,15H,6-9H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-N-(4-methyloxan-4-yl)benzamide?
2-hydroxy-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.69, 2 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)benzamide is sourced from PubChem (CID 113324402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).