2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one

C18H35NO2 — CID 79915130

IUPAC2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one
SMILESCCC(CC)N(CC(C)C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C18H35NO2/c1-9-14(10-2)19(11-13(3)4)12-15-16(20)18(7,8)21-17(15,5)6/h13-15H,9-12H2,1-8H3
InChIKeyORCVETFSEMROKJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.91
Rot. Bonds7

About 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one (PubChem CID 79915130) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one
PubChem CID79915130
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one
SMILESCCC(CC)N(CC(C)C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C18H35NO2/c1-9-14(10-2)19(11-13(3)4)12-15-16(20)18(7,8)21-17(15,5)6/h13-15H,9-12H2,1-8H3
InChIKeyORCVETFSEMROKJ-UHFFFAOYSA-N
XLogP3.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-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 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one (CID 79915130) is 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one is CCC(CC)N(CC(C)C)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one?
The InChIKey is ORCVETFSEMROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-9-14(10-2)19(11-13(3)4)12-15-16(20)18(7,8)21-17(15,5)6/h13-15H,9-12H2,1-8H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one has a molecular weight of 297.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79915130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).