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

C20H22N2O5 — CID 55831241

IUPACN-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C20H22N2O5/c1-13(21-19(24)14-7-10-25-12-14)18(23)22-15-5-6-16-17(11-15)27-20(26-16)8-3-2-4-9-20/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGBIAVTFIUOYCQS-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.47
Rot. Bonds4

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

N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide (PubChem CID 55831241) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide
PubChem CID55831241
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2
InChIInChI=1S/C20H22N2O5/c1-13(21-19(24)14-7-10-25-12-14)18(23)22-15-5-6-16-17(11-15)27-20(26-16)8-3-2-4-9-20/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGBIAVTFIUOYCQS-UHFFFAOYSA-N
XLogP3.47
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 55598967
(2S)-2-(carbamoylamino)-3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbutanamide
CID 29293240
2-chloro-2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 166428021
N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057222
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644022
2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46597519
(2S)-N-(methylcarbamoyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644241
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
1-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 97262251
N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94032624
N-[(2R)-1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964466
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51956995

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide (CID 55831241) is N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2.
What is the InChIKey of N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide?
The InChIKey is GBIAVTFIUOYCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(21-19(24)14-7-10-25-12-14)18(23)22-15-5-6-16-17(11-15)27-20(26-16)8-3-2-4-9-20/h5-7,10-13H,2-4,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55831241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).