3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid

C20H26ClN3O6 — CID 58153767

IUPAC3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCCOC(=O)C(CCc1ccc(Cl)cc1)NC(C)C(=O)N1C(=O)N(C)CC1C(=O)O
InChIInChI=1S/C20H26ClN3O6/c1-4-30-19(28)15(10-7-13-5-8-14(21)9-6-13)22-12(2)17(25)24-16(18(26)27)11-23(3)20(24)29/h5-6,8-9,12,15-16,22H,4,7,10-11H2,1-3H3,(H,26,27)
InChIKeyHXPFUVRCMNZXIM-UHFFFAOYSA-N
MW439.90 g/mol
LogP1.53
Rot. Bonds9

About 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid

3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 58153767) has the molecular formula C20H26ClN3O6 and a molecular weight of 439.90 g/mol. Its IUPAC name is 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID58153767
Molecular FormulaC20H26ClN3O6
Molecular Weight439.90 g/mol
Exact Mass439.15
IUPAC Name3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCCOC(=O)C(CCc1ccc(Cl)cc1)NC(C)C(=O)N1C(=O)N(C)CC1C(=O)O
InChIInChI=1S/C20H26ClN3O6/c1-4-30-19(28)15(10-7-13-5-8-14(21)9-6-13)22-12(2)17(25)24-16(18(26)27)11-23(3)20(24)29/h5-6,8-9,12,15-16,22H,4,7,10-11H2,1-3H3,(H,26,27)
InChIKeyHXPFUVRCMNZXIM-UHFFFAOYSA-N
XLogP1.53
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid with MolForge

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Related Compounds

Imidapril
CID 5464343
Imidaprilat
CID 5464344
Imidapril Hydrochloride
CID 5485193
1-Butyl-3-[2-(1-carboxy-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456423
3-[2-[(1-Carboxy-3-phenylpropyl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 129109
3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 44331702
1-Benzyl-3-[2-(1-ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456371
1-Benzyl-3-[2-(1-ethoxycarbonyl-nonylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13477728
3-[2-[(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 3693
(2S)-2-[(4S)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanoic acid
CID 122194466
(4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 40466903
Imidapril Impurity 15
CID 58153740

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 58153767) is 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid is CCOC(=O)C(CCc1ccc(Cl)cc1)NC(C)C(=O)N1C(=O)N(C)CC1C(=O)O.
What is the InChIKey of 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is HXPFUVRCMNZXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O6/c1-4-30-19(28)15(10-7-13-5-8-14(21)9-6-13)22-12(2)17(25)24-16(18(26)27)11-23(3)20(24)29/h5-6,8-9,12,15-16,22H,4,7,10-11H2,1-3H3,(H,26,27).
What are the key properties of 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid?
3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 439.90 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(4-chlorophenyl)-1-ethoxy-1-oxobutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 58153767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).