[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate

C18H22N2O6 — CID 9061811

IUPAC[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCOc1ccc(C(=O)[C@H](C)OC(=O)CCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C18H22N2O6/c1-12(17(23)13-6-8-14(25-3)9-7-13)26-16(22)5-4-10-20-15(21)11-19(2)18(20)24/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyNQIWWVNVCVNROF-LBPRGKRZSA-N
MW362.38 g/mol
LogP1.48
Rot. Bonds8

About [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate (PubChem CID 9061811) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
PubChem CID9061811
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
SMILESCOc1ccc(C(=O)[C@H](C)OC(=O)CCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C18H22N2O6/c1-12(17(23)13-6-8-14(25-3)9-7-13)26-16(22)5-4-10-20-15(21)11-19(2)18(20)24/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyNQIWWVNVCVNROF-LBPRGKRZSA-N
XLogP1.48
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671744
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8958318
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061826
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657821
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8958341
[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8958315
N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
CID 166452026
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821918
[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8958353
(1-oxo-1-phenylpropan-2-yl) 3-(4-methoxyphenoxy)propanoate
CID 55316588
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312601

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The IUPAC name of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate (CID 9061811) is [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate.
What is the SMILES notation for [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The canonical SMILES for [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate is COc1ccc(C(=O)[C@H](C)OC(=O)CCCN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
The InChIKey is NQIWWVNVCVNROF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-12(17(23)13-6-8-14(25-3)9-7-13)26-16(22)5-4-10-20-15(21)11-19(2)18(20)24/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate?
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate has a molecular weight of 362.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate is sourced from PubChem (CID 9061811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).