N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C24H31N3O3 — CID 34063377

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCC1=CCCCC1
InChIInChI=1S/C24H31N3O3/c28-21(25-16-13-18-7-3-1-4-8-18)17-27-22(29)24(26-23(27)30)14-11-20(12-15-24)19-9-5-2-6-10-19/h2,5-7,9-10,20H,1,3-4,8,11-17H2,(H,25,28)(H,26,30)
InChIKeyUMKNKMAVGVFECP-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 34063377) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID34063377
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCC1=CCCCC1
InChIInChI=1S/C24H31N3O3/c28-21(25-16-13-18-7-3-1-4-8-18)17-27-22(29)24(26-23(27)30)14-11-20(12-15-24)19-9-5-2-6-10-19/h2,5-7,9-10,20H,1,3-4,8,11-17H2,(H,25,28)(H,26,30)
InChIKeyUMKNKMAVGVFECP-UHFFFAOYSA-N
XLogP3.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439994
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9453527
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95166273
2-[(4R)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 27044420
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 60519643
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 4800196
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702965
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2540069
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 34063377) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UMKNKMAVGVFECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-21(25-16-13-18-7-3-1-4-8-18)17-27-22(29)24(26-23(27)30)14-11-20(12-15-24)19-9-5-2-6-10-19/h2,5-7,9-10,20H,1,3-4,8,11-17H2,(H,25,28)(H,26,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 34063377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).