3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H28N2O3 — CID 70717076

IUPAC3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O
InChIInChI=1S/C17H28N2O3/c1-13(2)4-9-19-12-17(22-15(19)21)7-10-18(11-8-17)14(20)16(3)5-6-16/h13H,4-12H2,1-3H3
InChIKeyUNVZRNZLWZLSJO-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70717076) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70717076
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O
InChIInChI=1S/C17H28N2O3/c1-13(2)4-9-19-12-17(22-15(19)21)7-10-18(11-8-17)14(20)16(3)5-6-16/h13H,4-12H2,1-3H3
InChIKeyUNVZRNZLWZLSJO-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70717076) is 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)CCN1CC2(CCN(C(=O)C3(C)CC3)CC2)OC1=O.
What is the InChIKey of 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UNVZRNZLWZLSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(2)4-9-19-12-17(22-15(19)21)7-10-18(11-8-17)14(20)16(3)5-6-16/h13H,4-12H2,1-3H3.
What are the key properties of 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 308.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-8-(1-methylcyclopropanecarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70717076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).