3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide

C13H17NO5 — CID 103849817

IUPAC3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(O)CCOC2)cc1O
InChIInChI=1S/C13H17NO5/c1-18-11-3-2-9(6-10(11)15)12(16)14-7-13(17)4-5-19-8-13/h2-3,6,15,17H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyZSEINHWIHICGPM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.28
Rot. Bonds4

About 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide

3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide (PubChem CID 103849817) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
PubChem CID103849817
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(O)CCOC2)cc1O
InChIInChI=1S/C13H17NO5/c1-18-11-3-2-9(6-10(11)15)12(16)14-7-13(17)4-5-19-8-13/h2-3,6,15,17H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyZSEINHWIHICGPM-UHFFFAOYSA-N
XLogP0.28
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
2-(2,4-dimethoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849339
N-[(3-hydroxyoxolan-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103849205
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
4-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113338032

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide (CID 103849817) is 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(O)CCOC2)cc1O.
What is the InChIKey of 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide?
The InChIKey is ZSEINHWIHICGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-11-3-2-9(6-10(11)15)12(16)14-7-13(17)4-5-19-8-13/h2-3,6,15,17H,4-5,7-8H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide?
3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide has a molecular weight of 267.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 103849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).