9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H30N2O2 — CID 135332757

IUPAC9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)CO2
InChIInChI=1S/C16H30N2O2/c1-13(2)5-8-17-9-6-16(7-10-17)12-18(14(3)4)15(19)11-20-16/h13-14H,5-12H2,1-4H3
InChIKeyCPFVEASQUUTOEG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.13
Rot. Bonds4

About 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332757) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332757
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)CO2
InChIInChI=1S/C16H30N2O2/c1-13(2)5-8-17-9-6-16(7-10-17)12-18(14(3)4)15(19)11-20-16/h13-14H,5-12H2,1-4H3
InChIKeyCPFVEASQUUTOEG-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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 56
CID 135332756
US10927128, Example 58
CID 135332786
US10927128, Example 7
CID 135332788

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332757) is 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)CO2.
What is the InChIKey of 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CPFVEASQUUTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)5-8-17-9-6-16(7-10-17)12-18(14(3)4)15(19)11-20-16/h13-14H,5-12H2,1-4H3.
What are the key properties of 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 282.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).