ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

C24H26ClN3O5 — CID 41284896

IUPACethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)c1
InChIInChI=1S/C24H26ClN3O5/c1-4-33-23(31)16-6-5-7-18(12-16)26-21(29)13-20-22(30)28(19-10-8-17(25)9-11-19)24(32)27(20)14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,26,29)/t20-/m0/s1
InChIKeyANFJCPYXOJBHHT-FQEVSTJZSA-N
MW471.94 g/mol
LogP4.34
Rot. Bonds8

About ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate

ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (PubChem CID 41284896) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
PubChem CID41284896
Molecular FormulaC24H26ClN3O5
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC Nameethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)c1
InChIInChI=1S/C24H26ClN3O5/c1-4-33-23(31)16-6-5-7-18(12-16)26-21(29)13-20-22(30)28(19-10-8-17(25)9-11-19)24(32)27(20)14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,26,29)/t20-/m0/s1
InChIKeyANFJCPYXOJBHHT-FQEVSTJZSA-N
XLogP4.34
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.34
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

ethyl 3-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284875
N-(4-chlorophenyl)-2-[(4R)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690531
ethyl 4-[[2-[1-(4-fluorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 46276980
ethyl 3-[[2-[(4S)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284856
ethyl 3-[[2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284888
ethyl 3-[[2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002054
ethyl 3-[[2-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 26526274
ethyl 3-[[2-[1-(4-fluorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 2981583
ethyl 3-[[2-[(4R)-1-(4-ethoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 28701661
ethyl 3-[[2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774526
ethyl 3-[[2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002049
N-(4-ethoxyphenyl)-2-[(4S)-1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701800

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate (CID 41284896) is ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N2CC(C)C)c1.
What is the InChIKey of ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
The InChIKey is ANFJCPYXOJBHHT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-4-33-23(31)16-6-5-7-18(12-16)26-21(29)13-20-22(30)28(19-10-8-17(25)9-11-19)24(32)27(20)14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,26,29)/t20-/m0/s1.
What are the key properties of ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate?
ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate has a molecular weight of 471.94 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-[(4S)-1-(4-chlorophenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 41284896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).