[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

C26H34N4O5 — CID 16505168

IUPAC[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1)C2=O
InChIInChI=1S/C26H34N4O5/c1-18-11-14-26(15-12-18)24(33)30(25(34)28-26)29-22(31)17-35-23(32)20-9-5-6-10-21(20)27-16-13-19-7-3-2-4-8-19/h5-7,9-10,18,27H,2-4,8,11-17H2,1H3,(H,28,34)(H,29,31)
InChIKeyCXYYAQCSQQJXLH-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.68
Rot. Bonds8

About [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate (PubChem CID 16505168) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate.

Molecular Properties

Compound Name[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate
PubChem CID16505168
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1)C2=O
InChIInChI=1S/C26H34N4O5/c1-18-11-14-26(15-12-18)24(33)30(25(34)28-26)29-22(31)17-35-23(32)20-9-5-6-10-21(20)27-16-13-19-7-3-2-4-8-19/h5-7,9-10,18,27H,2-4,8,11-17H2,1H3,(H,28,34)(H,29,31)
InChIKeyCXYYAQCSQQJXLH-UHFFFAOYSA-N
XLogP3.68
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658691
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840553
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 16520781
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-[2-(4-chlorophenyl)ethylamino]benzoate
CID 24531240
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488860
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 16533736
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873242
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526467
ethyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109014793
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536014

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate?
The IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate (CID 16505168) is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate.
What is the SMILES notation for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate?
The canonical SMILES for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate is CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1)C2=O.
What is the InChIKey of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate?
The InChIKey is CXYYAQCSQQJXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-18-11-14-26(15-12-18)24(33)30(25(34)28-26)29-22(31)17-35-23(32)20-9-5-6-10-21(20)27-16-13-19-7-3-2-4-8-19/h5-7,9-10,18,27H,2-4,8,11-17H2,1H3,(H,28,34)(H,29,31).
What are the key properties of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate?
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate has a molecular weight of 482.58 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate is sourced from PubChem (CID 16505168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).