N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide

C19H20N2O5 — CID 24646093

IUPACN-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C19H20N2O5/c22-17(12-20-18(23)15-5-4-10-24-15)21-13-6-7-14-16(11-13)26-19(25-14)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,20,23)(H,21,22)
InChIKeyRFOIZIYJJXRKEH-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.08
Rot. Bonds4

About N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide

N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide (PubChem CID 24646093) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide
PubChem CID24646093
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C19H20N2O5/c22-17(12-20-18(23)15-5-4-10-24-15)21-13-6-7-14-16(11-13)26-19(25-14)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,20,23)(H,21,22)
InChIKeyRFOIZIYJJXRKEH-UHFFFAOYSA-N
XLogP3.08
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]furan-2-carboxamide
CID 9454088
3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24646089
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
CID 24647250
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31306841
2-(4-hydroxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 78837912
2-(3-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 42280231
2-[[(1R)-1-phenylethyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9248531
N-[4-oxo-4-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)butyl]benzamide
CID 46664862
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl] 3-phenylpropanoate
CID 7516902
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide (CID 24646093) is N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is RFOIZIYJJXRKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-17(12-20-18(23)15-5-4-10-24-15)21-13-6-7-14-16(11-13)26-19(25-14)8-2-1-3-9-19/h4-7,10-11H,1-3,8-9,12H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide?
N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 24646093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).