N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide

C18H15NO6 — CID 129355354

IUPACN-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15NO6/c20-17(12-3-4-14-15(8-12)25-11-24-14)19-10-18(21,13-5-7-22-9-13)16-2-1-6-23-16/h1-9,21H,10-11H2,(H,19,20)/t18-/m0/s1
InChIKeyYKXFEUXYCHYRDF-SFHVURJKSA-N
MW341.32 g/mol
LogP2.27
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 129355354) has the molecular formula C18H15NO6 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID129355354
Molecular FormulaC18H15NO6
Molecular Weight341.32 g/mol
Exact Mass341.09
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15NO6/c20-17(12-3-4-14-15(8-12)25-11-24-14)19-10-18(21,13-5-7-22-9-13)16-2-1-6-23-16/h1-9,21H,10-11H2,(H,19,20)/t18-/m0/s1
InChIKeyYKXFEUXYCHYRDF-SFHVURJKSA-N
XLogP2.27
TPSA94.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121018452
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 129354788
1-(1,3-benzodioxol-5-yl)-3-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 119101158
3-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172397
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 119101083
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 129354602
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
CID 171137083
N-[2-[1,3-benzodioxole-5-carbonyl(methyl)amino]-2-methylpropyl]-1,3-benzodioxole-5-carboxamide
CID 166180875
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide (CID 129355354) is N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide is O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YKXFEUXYCHYRDF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15NO6/c20-17(12-3-4-14-15(8-12)25-11-24-14)19-10-18(21,13-5-7-22-9-13)16-2-1-6-23-16/h1-9,21H,10-11H2,(H,19,20)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 129355354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).