6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C18H26N2O — CID 83245173

IUPAC6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CN1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-12(2)11-20-16(19-18(9-10-18)17(20)21)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16,19H,9-11H2,1-4H3
InChIKeyDYHUTRYHMGUYTG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.43
Rot. Bonds4

About 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245173) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245173
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CN1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-12(2)11-20-16(19-18(9-10-18)17(20)21)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16,19H,9-11H2,1-4H3
InChIKeyDYHUTRYHMGUYTG-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-propan-2-ylphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241982
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
5-(4-chlorophenyl)-6-[2-(dimethylamino)propyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83252277
5-(3-fluorophenyl)-6-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83242741
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
2-(3-methylphenyl)-3-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79491776
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245377
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
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-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245173) is 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CN1C(=O)C2(CC2)NC1c1ccc(C(C)C)cc1.
What is the InChIKey of 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is DYHUTRYHMGUYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)11-20-16(19-18(9-10-18)17(20)21)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16,19H,9-11H2,1-4H3.
What are the key properties of 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 286.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).