N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

C16H16N2O6 — CID 90523924

IUPACN'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESO=C(NCCC(O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N2O6/c19-11(12-2-1-7-22-12)5-6-17-15(20)16(21)18-10-3-4-13-14(8-10)24-9-23-13/h1-4,7-8,11,19H,5-6,9H2,(H,17,20)(H,18,21)
InChIKeySFKQZXTVNXEBFN-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.19
Rot. Bonds5

About N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (PubChem CID 90523924) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
PubChem CID90523924
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESO=C(NCCC(O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N2O6/c19-11(12-2-1-7-22-12)5-6-17-15(20)16(21)18-10-3-4-13-14(8-10)24-9-23-13/h1-4,7-8,11,19H,5-6,9H2,(H,17,20)(H,18,21)
InChIKeySFKQZXTVNXEBFN-UHFFFAOYSA-N
XLogP1.19
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N'-(1,3-benzodioxol-5-yl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523588
N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide
CID 121132642
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
CID 3156756
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxy-3-thiophen-2-ylpentyl)oxamide
CID 122160763
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 71804376
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
CID 95984709
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (CID 90523924) is N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is O=C(NCCC(O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The InChIKey is SFKQZXTVNXEBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c19-11(12-2-1-7-22-12)5-6-17-15(20)16(21)18-10-3-4-13-14(8-10)24-9-23-13/h1-4,7-8,11,19H,5-6,9H2,(H,17,20)(H,18,21).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide has a molecular weight of 332.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 90523924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).