2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide

C12H15NO4 — CID 103614166

IUPAC2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c14-9-1-2-10(11(15)5-9)12(16)13-6-8-3-4-17-7-8/h1-2,5,8,14-15H,3-4,6-7H2,(H,13,16)
InChIKeyGAVMZOQZUUEDDR-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.86
Rot. Bonds3

About 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide

2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 103614166) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
PubChem CID103614166
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c14-9-1-2-10(11(15)5-9)12(16)13-6-8-3-4-17-7-8/h1-2,5,8,14-15H,3-4,6-7H2,(H,13,16)
InChIKeyGAVMZOQZUUEDDR-UHFFFAOYSA-N
XLogP0.86
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide (CID 103614166) is 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide is O=C(NCC1CCOC1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is GAVMZOQZUUEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-1-2-10(11(15)5-9)12(16)13-6-8-3-4-17-7-8/h1-2,5,8,14-15H,3-4,6-7H2,(H,13,16).
What are the key properties of 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 237.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 103614166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).