6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H24N2O2 — CID 83248467

IUPAC6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCC(C)N1C(=O)C2(CC2)NC1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-21-11-13(3)19-15(14-7-5-12(2)6-8-14)18-17(9-10-17)16(19)20/h5-8,13,15,18H,4,9-11H2,1-3H3
InChIKeyGQFDUXVJCDNIFF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds5

About 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248467) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248467
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCC(C)N1C(=O)C2(CC2)NC1c1ccc(C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-21-11-13(3)19-15(14-7-5-12(2)6-8-14)18-17(9-10-17)16(19)20/h5-8,13,15,18H,4,9-11H2,1-3H3
InChIKeyGQFDUXVJCDNIFF-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245613
3-(1-ethoxypropan-2-yl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83244890
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
6-butan-2-yl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239589
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263864
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
2-(2,5-dimethylphenyl)-3-(1-ethoxypropan-2-yl)imidazolidin-4-one
CID 83247452
2-(4-chlorophenyl)-3-(1-ethoxypropan-2-yl)-5-ethylimidazolidin-4-one
CID 83245870
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444
5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244732

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248467) is 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCC(C)N1C(=O)C2(CC2)NC1c1ccc(C)cc1.
What is the InChIKey of 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GQFDUXVJCDNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-21-11-13(3)19-15(14-7-5-12(2)6-8-14)18-17(9-10-17)16(19)20/h5-8,13,15,18H,4,9-11H2,1-3H3.
What are the key properties of 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 288.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).