N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide

C24H31N3O2 — CID 53366847

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCCC1=CCCCC1
InChIInChI=1S/C24H31N3O2/c28-21(25-17-14-19-10-4-1-5-11-19)18-27-23(29)22(20-12-6-2-7-13-20)26-24(27)15-8-3-9-16-24/h2,6-7,10,12-13H,1,3-5,8-9,11,14-18H2,(H,25,28)
InChIKeyRCFICZVXXLULSL-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (PubChem CID 53366847) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
PubChem CID53366847
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCCC1=CCCCC1
InChIInChI=1S/C24H31N3O2/c28-21(25-17-14-19-10-4-1-5-11-19)18-27-23(29)22(20-12-6-2-7-13-20)26-24(27)15-8-3-9-16-24/h2,6-7,10,12-13H,1,3-5,8-9,11,14-18H2,(H,25,28)
InChIKeyRCFICZVXXLULSL-UHFFFAOYSA-N
XLogP3.98
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891056
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 53366889
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2579989
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 60519643
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34063377
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 51043011
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (CID 53366847) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCC2)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The InChIKey is RCFICZVXXLULSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-21(25-17-14-19-10-4-1-5-11-19)18-27-23(29)22(20-12-6-2-7-13-20)26-24(27)15-8-3-9-16-24/h2,6-7,10,12-13H,1,3-5,8-9,11,14-18H2,(H,25,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is sourced from PubChem (CID 53366847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).