6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide

C19H19NO6 — CID 51964249

IUPAC6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2c(cc1O)OCO2
InChIInChI=1S/C19H19NO6/c21-16-9-18-17(25-11-26-18)8-15(16)19(22)20-12-3-1-4-13(7-12)24-10-14-5-2-6-23-14/h1,3-4,7-9,14,21H,2,5-6,10-11H2,(H,20,22)/t14-/m0/s1
InChIKeyOHTLPMWVZANMRD-AWEZNQCLSA-N
MW357.36 g/mol
LogP2.93
Rot. Bonds5

About 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide

6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51964249) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID51964249
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2c(cc1O)OCO2
InChIInChI=1S/C19H19NO6/c21-16-9-18-17(25-11-26-18)8-15(16)19(22)20-12-3-1-4-13(7-12)24-10-14-5-2-6-23-14/h1,3-4,7-9,14,21H,2,5-6,10-11H2,(H,20,22)/t14-/m0/s1
InChIKeyOHTLPMWVZANMRD-AWEZNQCLSA-N
XLogP2.93
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709
1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95303946
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide (CID 51964249) is 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2c(cc1O)OCO2.
What is the InChIKey of 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OHTLPMWVZANMRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19NO6/c21-16-9-18-17(25-11-26-18)8-15(16)19(22)20-12-3-1-4-13(7-12)24-10-14-5-2-6-23-14/h1,3-4,7-9,14,21H,2,5-6,10-11H2,(H,20,22)/t14-/m0/s1.
What are the key properties of 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide?
6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51964249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).