3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide

C23H24N2O4 — CID 29293266

IUPAC3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H24N2O4/c26-21(15-7-8-15)24-17-6-4-5-16(13-17)22(27)25-18-9-10-19-20(14-18)29-23(28-19)11-2-1-3-12-23/h4-6,9-10,13-15H,1-3,7-8,11-12H2,(H,24,26)(H,25,27)
InChIKeyFPELSWMFLMZNIZ-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.72
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide

3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide (PubChem CID 29293266) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
PubChem CID29293266
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H24N2O4/c26-21(15-7-8-15)24-17-6-4-5-16(13-17)22(27)25-18-9-10-19-20(14-18)29-23(28-19)11-2-1-3-12-23/h4-6,9-10,13-15H,1-3,7-8,11-12H2,(H,24,26)(H,25,27)
InChIKeyFPELSWMFLMZNIZ-UHFFFAOYSA-N
XLogP4.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
CID 29365241
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086
3-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 9449798
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450
1-(1,3-benzoxazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine-4-carboxamide
CID 24598690
3-fluoro-4-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26707616
2-bromo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 24563091
4-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 17443857

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide (CID 29293266) is 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide is O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
The InChIKey is FPELSWMFLMZNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(15-7-8-15)24-17-6-4-5-16(13-17)22(27)25-18-9-10-19-20(14-18)29-23(28-19)11-2-1-3-12-23/h4-6,9-10,13-15H,1-3,7-8,11-12H2,(H,24,26)(H,25,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide?
3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide is sourced from PubChem (CID 29293266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).