3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one

C18H24N2O — CID 83244642

IUPAC3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C18H24N2O/c1-2-13-5-7-14(8-6-13)16-19-18(11-3-4-12-18)17(21)20(16)15-9-10-15/h5-8,15-16,19H,2-4,9-12H2,1H3
InChIKeyXCHMHUVVFPXNDT-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.15
Rot. Bonds3

About 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one

3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83244642) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83244642
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C18H24N2O/c1-2-13-5-7-14(8-6-13)16-19-18(11-3-4-12-18)17(21)20(16)15-9-10-15/h5-8,15-16,19H,2-4,9-12H2,1H3
InChIKeyXCHMHUVVFPXNDT-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83244642) is 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one is CCc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is XCHMHUVVFPXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-13-5-7-14(8-6-13)16-19-18(11-3-4-12-18)17(21)20(16)15-9-10-15/h5-8,15-16,19H,2-4,9-12H2,1H3.
What are the key properties of 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 284.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83244642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).