4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

C23H34N2O — CID 11337188

IUPAC4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1
InChIInChI=1S/C23H34N2O/c1-18(2)23(11-7-4-8-12-23)25-15-13-22(14-16-25)20(17-24-21(22)26)19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3,(H,24,26)
InChIKeyNSEZFRRUDHGUMJ-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.34
Rot. Bonds3

About 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11337188) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11337188
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1
InChIInChI=1S/C23H34N2O/c1-18(2)23(11-7-4-8-12-23)25-15-13-22(14-16-25)20(17-24-21(22)26)19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3,(H,24,26)
InChIKeyNSEZFRRUDHGUMJ-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 11337188) is 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1.
What is the InChIKey of 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NSEZFRRUDHGUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-18(2)23(11-7-4-8-12-23)25-15-13-22(14-16-25)20(17-24-21(22)26)19-9-5-3-6-10-19/h3,5-6,9-10,18,20H,4,7-8,11-17H2,1-2H3,(H,24,26).
What are the key properties of 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 354.54 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-8-(1-propan-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11337188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).