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

C23H25N3O7 — CID 92786580

IUPAC[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C23H25N3O7/c1-14(20(28)24-16-7-11-18(32-4)12-8-16)33-19(27)13-26-21(29)23(2,25-22(26)30)15-5-9-17(31-3)10-6-15/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,30)/t14-,23-/m0/s1
InChIKeyKYLHECCTYVHDQJ-PSLXWICFSA-N
MW455.47 g/mol
LogP2.04
Rot. Bonds8

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

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 92786580) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID92786580
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C23H25N3O7/c1-14(20(28)24-16-7-11-18(32-4)12-8-16)33-19(27)13-26-21(29)23(2,25-22(26)30)15-5-9-17(31-3)10-6-15/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,30)/t14-,23-/m0/s1
InChIKeyKYLHECCTYVHDQJ-PSLXWICFSA-N
XLogP2.04
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957758
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685080
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209779
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40857219
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4249582
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 92786564
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 8572436
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8572273
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 40842811

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 92786580) is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is KYLHECCTYVHDQJ-PSLXWICFSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-14(20(28)24-16-7-11-18(32-4)12-8-16)33-19(27)13-26-21(29)23(2,25-22(26)30)15-5-9-17(31-3)10-6-15/h5-12,14H,13H2,1-4H3,(H,24,28)(H,25,30)/t14-,23-/m0/s1.
What are the key properties of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 455.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 92786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).