1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

C23H34N2O2 — CID 162631324

IUPAC1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCc1ccccc1CN1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C23H34N2O2/c1-2-18-7-3-4-8-19(18)17-24-15-5-13-23(24)14-6-16-25(22(23)27)20-9-11-21(26)12-10-20/h3-4,7-8,20-21,26H,2,5-6,9-17H2,1H3
InChIKeyWCCFYTRKUUHSIS-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.51
Rot. Bonds4

About 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one

1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631324) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631324
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCCc1ccccc1CN1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C23H34N2O2/c1-2-18-7-3-4-8-19(18)17-24-15-5-13-23(24)14-6-16-25(22(23)27)20-9-11-21(26)12-10-20/h3-4,7-8,20-21,26H,2,5-6,9-17H2,1H3
InChIKeyWCCFYTRKUUHSIS-UHFFFAOYSA-N
XLogP3.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162631324) is 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is CCc1ccccc1CN1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is WCCFYTRKUUHSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-2-18-7-3-4-8-19(18)17-24-15-5-13-23(24)14-6-16-25(22(23)27)20-9-11-21(26)12-10-20/h3-4,7-8,20-21,26H,2,5-6,9-17H2,1H3.
What are the key properties of 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 370.54 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).