[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C22H29N3O5 — CID 7793396

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)C1=O
InChIInChI=1S/C22H29N3O5/c1-3-22(2)20(28)24(21(29)23-22)14-19(27)30-15-18(26)25(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3,(H,23,29)/t22-/m0/s1
InChIKeyMOVJKRYFJZPNBO-QFIPXVFZSA-N
MW415.49 g/mol
LogP2.62
Rot. Bonds7

About [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7793396) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7793396
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)C1=O
InChIInChI=1S/C22H29N3O5/c1-3-22(2)20(28)24(21(29)23-22)14-19(27)30-15-18(26)25(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3,(H,23,29)/t22-/m0/s1
InChIKeyMOVJKRYFJZPNBO-QFIPXVFZSA-N
XLogP2.62
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.62
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-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793756
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 7266331
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55311172
N-cyclopentyl-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide
CID 124590764
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822123
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793368
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813987
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46606498
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957701
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 9010927

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 7793396) is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(c2ccccc2)C2CCCCC2)C1=O.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is MOVJKRYFJZPNBO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-3-22(2)20(28)24(21(29)23-22)14-19(27)30-15-18(26)25(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,17H,3,5,8-9,12-15H2,1-2H3,(H,23,29)/t22-/m0/s1.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 415.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7793396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).