(3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide

C22H36N2O3 — CID 128676424

IUPAC(3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C22H36N2O3/c25-20(23-17-7-12-27-22(15-17)8-2-1-3-9-22)24-16-21(10-13-26-14-11-21)18-5-4-6-19(18)24/h17-19H,1-16H2,(H,23,25)/t17?,18-,19+/m1/s1
InChIKeyLODSPAMUJNRPJF-CPSIJMPNSA-N
MW376.54 g/mol
LogP3.86
Rot. Bonds1

About (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide

(3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide (PubChem CID 128676424) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide.

Molecular Properties

Compound Name(3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide
PubChem CID128676424
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name(3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C22H36N2O3/c25-20(23-17-7-12-27-22(15-17)8-2-1-3-9-22)24-16-21(10-13-26-14-11-21)18-5-4-6-19(18)24/h17-19H,1-16H2,(H,23,25)/t17?,18-,19+/m1/s1
InChIKeyLODSPAMUJNRPJF-CPSIJMPNSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide with MolForge

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Related Compounds

N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
[(3aS,6aS)-spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-yl]-[(3R)-oxan-3-yl]methanone
CID 126454718
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235500
1-cyclobutyl-1-methyl-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235748
5-oxaspiro[3.5]nonan-8-ylurea
CID 131086736
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 98559596
(3aS,6aR)-2-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122007075
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
5-methyl-1-(5-oxaspiro[3.5]nonan-8-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122123211

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide?
The IUPAC name of (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide (CID 128676424) is (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide.
What is the SMILES notation for (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide?
The canonical SMILES for (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide?
The InChIKey is LODSPAMUJNRPJF-CPSIJMPNSA-N. The full InChI is InChI=1S/C22H36N2O3/c25-20(23-17-7-12-27-22(15-17)8-2-1-3-9-22)24-16-21(10-13-26-14-11-21)18-5-4-6-19(18)24/h17-19H,1-16H2,(H,23,25)/t17?,18-,19+/m1/s1.
What are the key properties of (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide?
(3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide has a molecular weight of 376.54 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-(1-oxaspiro[5.5]undecan-4-yl)spiro[2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3,4'-oxane]-1-carboxamide is sourced from PubChem (CID 128676424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).