1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one

C21H29N3O — CID 18441792

IUPAC1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESCCN1C=NC(=O)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C21H29N3O/c1-2-24-16-22-20(25)21(24)12-14-23(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,2,6-7,10-15H2,1H3
InChIKeyRVMDWBMHEPQUCH-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.44
Rot. Bonds3

About 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one

1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one (PubChem CID 18441792) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
PubChem CID18441792
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESCCN1C=NC(=O)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C21H29N3O/c1-2-24-16-22-20(25)21(24)12-14-23(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,2,6-7,10-15H2,1H3
InChIKeyRVMDWBMHEPQUCH-UHFFFAOYSA-N
XLogP3.44
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one (CID 18441792) is 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one is CCN1C=NC(=O)C12CCN(C1CCCCC1c1ccccc1)CC2.
What is the InChIKey of 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The InChIKey is RVMDWBMHEPQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-2-24-16-22-20(25)21(24)12-14-23(15-13-21)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,16,18-19H,2,6-7,10-15H2,1H3.
What are the key properties of 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one has a molecular weight of 339.48 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 18441792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).