2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

C20H21NO4 — CID 42280414

IUPAC2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H21NO4/c1-2-23-16-8-4-3-7-15(16)19(22)21-14-9-10-17-18(13-14)25-20(24-17)11-5-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22)
InChIKeyFPKWBQCHMHXMDA-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.38
Rot. Bonds4

About 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide

2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (PubChem CID 42280414) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
PubChem CID42280414
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H21NO4/c1-2-23-16-8-4-3-7-15(16)19(22)21-14-9-10-17-18(13-14)25-20(24-17)11-5-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22)
InChIKeyFPKWBQCHMHXMDA-UHFFFAOYSA-N
XLogP4.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 35906655
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46665023
2,3-dimethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293162
2-(2-methoxyethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 55997077
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-nitro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280381
2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide
CID 26757505
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 78785716
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 46581715
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 36599096
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(thiophene-2-carbonyl)benzamide
CID 46646361
N-dibenzofuran-2-yl-2-ethoxybenzamide
CID 16552367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The IUPAC name of 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide (CID 42280414) is 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide.
What is the SMILES notation for 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The canonical SMILES for 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is CCOc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
The InChIKey is FPKWBQCHMHXMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-23-16-8-4-3-7-15(16)19(22)21-14-9-10-17-18(13-14)25-20(24-17)11-5-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22).
What are the key properties of 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide?
2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide has a molecular weight of 339.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide is sourced from PubChem (CID 42280414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).