2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide

C22H28ClN3O2 — CID 24995540

IUPAC2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide
SMILESO=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)NC1CCCCC1
InChIInChI=1S/C22H28ClN3O2/c23-17-11-9-16(10-12-17)20-21(28)26(22(25-20)13-5-2-6-14-22)15-19(27)24-18-7-3-1-4-8-18/h9-12,18H,1-8,13-15H2,(H,24,27)
InChIKeyMVIGPPYJWOPIBG-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.08
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide

2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide (PubChem CID 24995540) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide
PubChem CID24995540
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide
SMILESO=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)NC1CCCCC1
InChIInChI=1S/C22H28ClN3O2/c23-17-11-9-16(10-12-17)20-21(28)26(22(25-20)13-5-2-6-14-22)15-19(27)24-18-7-3-1-4-8-18/h9-12,18H,1-8,13-15H2,(H,24,27)
InChIKeyMVIGPPYJWOPIBG-UHFFFAOYSA-N
XLogP4.08
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide (CID 24995540) is 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide is O=C(CN1C(=O)C(c2ccc(Cl)cc2)=NC12CCCCC2)NC1CCCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide?
The InChIKey is MVIGPPYJWOPIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c23-17-11-9-16(10-12-17)20-21(28)26(22(25-20)13-5-2-6-14-22)15-19(27)24-18-7-3-1-4-8-18/h9-12,18H,1-8,13-15H2,(H,24,27).
What are the key properties of 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide?
2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide has a molecular weight of 401.94 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 24995540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).