3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H30N2O4 — CID 70753005

IUPAC3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)C3CCCO3)CC2)OC1=O
InChIInChI=1S/C18H30N2O4/c1-3-14(4-2)12-20-13-18(24-17(20)22)7-9-19(10-8-18)16(21)15-6-5-11-23-15/h14-15H,3-13H2,1-2H3
InChIKeyOSXXJHBEVPFAFF-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.41
Rot. Bonds5

About 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70753005) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70753005
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)C3CCCO3)CC2)OC1=O
InChIInChI=1S/C18H30N2O4/c1-3-14(4-2)12-20-13-18(24-17(20)22)7-9-19(10-8-18)16(21)15-6-5-11-23-15/h14-15H,3-13H2,1-2H3
InChIKeyOSXXJHBEVPFAFF-UHFFFAOYSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70753005) is 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CC2(CCN(C(=O)C3CCCO3)CC2)OC1=O.
What is the InChIKey of 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OSXXJHBEVPFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-3-14(4-2)12-20-13-18(24-17(20)22)7-9-19(10-8-18)16(21)15-6-5-11-23-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-8-(oxolane-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70753005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).