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

C13H17NO3 — CID 103889446

IUPAC4-hydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(O)cc2)CCO1
InChIInChI=1S/C13H17NO3/c1-9-8-11(6-7-17-9)14-13(16)10-2-4-12(15)5-3-10/h2-5,9,11,15H,6-8H2,1H3,(H,14,16)
InChIKeyMVNFEOUPSVFLNS-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.69
Rot. Bonds2

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

4-hydroxy-N-(2-methyloxan-4-yl)benzamide (PubChem CID 103889446) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methyloxan-4-yl)benzamide
PubChem CID103889446
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-hydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(O)cc2)CCO1
InChIInChI=1S/C13H17NO3/c1-9-8-11(6-7-17-9)14-13(16)10-2-4-12(15)5-3-10/h2-5,9,11,15H,6-8H2,1H3,(H,14,16)
InChIKeyMVNFEOUPSVFLNS-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-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
CID 103888185
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 103888208
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
2-amino-6-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107021

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 4-hydroxy-N-(2-methyloxan-4-yl)benzamide (CID 103889446) is 4-hydroxy-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-hydroxy-N-(2-methyloxan-4-yl)benzamide is CC1CC(NC(=O)c2ccc(O)cc2)CCO1.
What is the InChIKey of 4-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is MVNFEOUPSVFLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-8-11(6-7-17-9)14-13(16)10-2-4-12(15)5-3-10/h2-5,9,11,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-(2-methyloxan-4-yl)benzamide?
4-hydroxy-N-(2-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 4-hydroxy-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 103889446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).