4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H28N2O2 — CID 135332756

IUPAC4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CCC2(CC1)CN(C1CC1)C(=O)CO2
InChIInChI=1S/C16H28N2O2/c1-13(2)5-8-17-9-6-16(7-10-17)12-18(14-3-4-14)15(19)11-20-16/h13-14H,3-12H2,1-2H3
InChIKeyIJQCKNKLMZQKQU-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds4

About 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332756) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332756
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CCC2(CC1)CN(C1CC1)C(=O)CO2
InChIInChI=1S/C16H28N2O2/c1-13(2)5-8-17-9-6-16(7-10-17)12-18(14-3-4-14)15(19)11-20-16/h13-14H,3-12H2,1-2H3
InChIKeyIJQCKNKLMZQKQU-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

US10421750, Example 40
CID 129073796
US10927128, Example 49
CID 135332689
US10927128, Example 1
CID 135332692
US10927128, Example 10
CID 135332699
US10927128, Example 60
CID 135332708
US10927128, Example 2
CID 135332709
US10927128, Example 59
CID 135332721
US10927128, Example 3
CID 135332743
US10927128, Example 44
CID 135332744
US10927128, Example 15
CID 135332751
US10927128, Example 53
CID 135332757
US10927128, Example 58
CID 135332786

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332756) is 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CCC2(CC1)CN(C1CC1)C(=O)CO2.
What is the InChIKey of 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IJQCKNKLMZQKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)5-8-17-9-6-16(7-10-17)12-18(14-3-4-14)15(19)11-20-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 280.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).