[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C19H31N3O5 — CID 8569279

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(C)C2CCC(C)CC2)C1=O
InChIInChI=1S/C19H31N3O5/c1-5-19(6-2)17(25)22(18(26)20-19)11-16(24)27-12-15(23)21(4)14-9-7-13(3)8-10-14/h13-14H,5-12H2,1-4H3,(H,20,26)
InChIKeyLGIPUGMJHOXBPF-UHFFFAOYSA-N
MW381.47 g/mol
LogP1.68
Rot. Bonds7

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 8569279) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID8569279
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(C)C2CCC(C)CC2)C1=O
InChIInChI=1S/C19H31N3O5/c1-5-19(6-2)17(25)22(18(26)20-19)11-16(24)27-12-15(23)21(4)14-9-7-13(3)8-10-14/h13-14H,5-12H2,1-4H3,(H,20,26)
InChIKeyLGIPUGMJHOXBPF-UHFFFAOYSA-N
XLogP1.68
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 11913583
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480531
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691480
N-cyclopentyl-N-cyclopropyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51077613
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691459
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617522
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 17402356
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617533
5,5-diethyl-3-[2-(5-methyl-2-propan-2-ylazepan-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 86965968
N-methyl-N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8521753
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691331
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 8569279) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(C)C2CCC(C)CC2)C1=O.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is LGIPUGMJHOXBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-5-19(6-2)17(25)22(18(26)20-19)11-16(24)27-12-15(23)21(4)14-9-7-13(3)8-10-14/h13-14H,5-12H2,1-4H3,(H,20,26).
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 381.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 8569279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).