N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H19NO5 — CID 17402268

IUPACN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1COc2ccccc2O1
InChIInChI=1S/C20H19NO5/c22-19(18-12-23-14-5-1-2-6-15(14)24-18)21-13-7-8-16-17(11-13)26-20(25-16)9-3-4-10-20/h1-2,5-8,11,18H,3-4,9-10,12H2,(H,21,22)
InChIKeyKGVAAARVKOZOTC-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.51
Rot. Bonds2

About N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 17402268) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID17402268
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1COc2ccccc2O1
InChIInChI=1S/C20H19NO5/c22-19(18-12-23-14-5-1-2-6-15(14)24-18)21-13-7-8-16-17(11-13)26-20(25-16)9-3-4-10-20/h1-2,5-8,11,18H,3-4,9-10,12H2,(H,21,22)
InChIKeyKGVAAARVKOZOTC-UHFFFAOYSA-N
XLogP3.51
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17404054
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
CID 29365241
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2957823
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18160948
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 26009983
(3S)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2210025
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 23731931
(3S)-N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51972953

Frequently Asked Questions

What is the IUPAC name of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 17402268) is N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1COc2ccccc2O1.
What is the InChIKey of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KGVAAARVKOZOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-19(18-12-23-14-5-1-2-6-15(14)24-18)21-13-7-8-16-17(11-13)26-20(25-16)9-3-4-10-20/h1-2,5-8,11,18H,3-4,9-10,12H2,(H,21,22).
What are the key properties of N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 17402268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).