(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide

C17H21NO4 — CID 29365241

IUPAC(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCO1
InChIInChI=1S/C17H21NO4/c19-16(14-5-4-10-20-14)18-12-6-7-13-15(11-12)22-17(21-13)8-2-1-3-9-17/h6-7,11,14H,1-5,8-10H2,(H,18,19)/t14-/m0/s1
InChIKeyPZSPIKGWSDCGNT-AWEZNQCLSA-N
MW303.36 g/mol
LogP3.24
Rot. Bonds2

About (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide

(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide (PubChem CID 29365241) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
PubChem CID29365241
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCO1
InChIInChI=1S/C17H21NO4/c19-16(14-5-4-10-20-14)18-12-6-7-13-15(11-12)22-17(21-13)8-2-1-3-9-17/h6-7,11,14H,1-5,8-10H2,(H,18,19)/t14-/m0/s1
InChIKeyPZSPIKGWSDCGNT-AWEZNQCLSA-N
XLogP3.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
3-(cyclopropanecarbonylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide
CID 29293266
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17402268
1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 95258509
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17404054
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
2-chloro-2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 166428021
1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55462008
6-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 51333086

Frequently Asked Questions

What is the IUPAC name of (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide?
The IUPAC name of (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide (CID 29365241) is (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide?
The canonical SMILES for (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide?
The InChIKey is PZSPIKGWSDCGNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NO4/c19-16(14-5-4-10-20-14)18-12-6-7-13-15(11-12)22-17(21-13)8-2-1-3-9-17/h6-7,11,14H,1-5,8-10H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide?
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yloxolane-2-carboxamide is sourced from PubChem (CID 29365241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).