N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H17NO5 — CID 121132759

IUPACN-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCC(O)c1ccoc1)C1COc2ccccc2O1
InChIInChI=1S/C16H17NO5/c18-12(11-6-8-20-9-11)5-7-17-16(19)15-10-21-13-3-1-2-4-14(13)22-15/h1-4,6,8-9,12,15,18H,5,7,10H2,(H,17,19)
InChIKeyJHNJXBATMMOQFN-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 121132759) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID121132759
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC NameN-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCC(O)c1ccoc1)C1COc2ccccc2O1
InChIInChI=1S/C16H17NO5/c18-12(11-6-8-20-9-11)5-7-17-16(19)15-10-21-13-3-1-2-4-14(13)22-15/h1-4,6,8-9,12,15,18H,5,7,10H2,(H,17,19)
InChIKeyJHNJXBATMMOQFN-UHFFFAOYSA-N
XLogP1.66
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 86980925
N-(3-aminopropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119407559
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62664381
N-(6-hydroxyhexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108808787
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51181705
N-pent-4-ynyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 113245084
(3R)-N-[3-(azepan-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41368308
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7242232
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 113274368
(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 65031834

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 121132759) is N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCCC(O)c1ccoc1)C1COc2ccccc2O1.
What is the InChIKey of N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is JHNJXBATMMOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c18-12(11-6-8-20-9-11)5-7-17-16(19)15-10-21-13-3-1-2-4-14(13)22-15/h1-4,6,8-9,12,15,18H,5,7,10H2,(H,17,19).
What are the key properties of N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-3-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 121132759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).