[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C18H22ClN3O5 — CID 2487129

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C)C1=O
InChIInChI=1S/C18H22ClN3O5/c1-4-18(5-2)16(25)22(17(26)21-18)9-15(24)27-10-14(23)20-13-8-12(19)7-6-11(13)3/h6-8H,4-5,9-10H2,1-3H3,(H,20,23)(H,21,26)
InChIKeyCXVDRVBPYNPMHL-UHFFFAOYSA-N
MW395.84 g/mol
LogP2.24
Rot. Bonds7

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2487129) has the molecular formula C18H22ClN3O5 and a molecular weight of 395.84 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2487129
Molecular FormulaC18H22ClN3O5
Molecular Weight395.84 g/mol
Exact Mass395.12
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C)C1=O
InChIInChI=1S/C18H22ClN3O5/c1-4-18(5-2)16(25)22(17(26)21-18)9-15(24)27-10-14(23)20-13-8-12(19)7-6-11(13)3/h6-8H,4-5,9-10H2,1-3H3,(H,20,23)(H,21,26)
InChIKeyCXVDRVBPYNPMHL-UHFFFAOYSA-N
XLogP2.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2338322
methyl 3-[[2-[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 7691145
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487167
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793359
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7479978
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
[2-(2-acetylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487061
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691427
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487182
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691431
[2-[5-chloro-2-(4-methylphenoxy)anilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55465206
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2486999

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2487129) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C)C1=O.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is CXVDRVBPYNPMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5/c1-4-18(5-2)16(25)22(17(26)21-18)9-15(24)27-10-14(23)20-13-8-12(19)7-6-11(13)3/h6-8H,4-5,9-10H2,1-3H3,(H,20,23)(H,21,26).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 395.84 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2487129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).