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

C18H29N3O5 — CID 2487051

IUPAC[2-[[(1S,2R)-2-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@H]2CCCC[C@H]2C)C1=O
InChIInChI=1S/C18H29N3O5/c1-4-18(5-2)16(24)21(17(25)20-18)10-15(23)26-11-14(22)19-13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t12-,13+/m1/s1
InChIKeyIVVMZYSAOPFGBH-OLZOCXBDSA-N
MW367.45 g/mol
LogP1.34
Rot. Bonds7

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

[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2487051) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2487051
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name[2-[[(1S,2R)-2-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@H]2CCCC[C@H]2C)C1=O
InChIInChI=1S/C18H29N3O5/c1-4-18(5-2)16(24)21(17(25)20-18)10-15(23)26-11-14(22)19-13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t12-,13+/m1/s1
InChIKeyIVVMZYSAOPFGBH-OLZOCXBDSA-N
XLogP1.34
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2487051) is [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-[[(1S,2R)-2-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@H]2CCCC[C@H]2C)C1=O.
What is the InChIKey of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is IVVMZYSAOPFGBH-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-4-18(5-2)16(24)21(17(25)20-18)10-15(23)26-11-14(22)19-13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3,(H,19,22)(H,20,25)/t12-,13+/m1/s1.
What are the key properties of [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 367.45 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2487051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).