methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate

C17H19Cl2N3O5 — CID 8570913

IUPACmethyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H19Cl2N3O5/c1-17(11-6-5-10(18)8-12(11)19)15(25)22(16(26)21-17)9-13(23)20-7-3-4-14(24)27-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23)(H,21,26)/t17-/m1/s1
InChIKeyOJCUZFLKMJPPLF-QGZVFWFLSA-N
MW416.26 g/mol
LogP1.83
Rot. Bonds7

About methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate

methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate (PubChem CID 8570913) has the molecular formula C17H19Cl2N3O5 and a molecular weight of 416.26 g/mol. Its IUPAC name is methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate
PubChem CID8570913
Molecular FormulaC17H19Cl2N3O5
Molecular Weight416.26 g/mol
Exact Mass415.07
IUPAC Namemethyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C17H19Cl2N3O5/c1-17(11-6-5-10(18)8-12(11)19)15(25)22(16(26)21-17)9-13(23)20-7-3-4-14(24)27-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23)(H,21,26)/t17-/m1/s1
InChIKeyOJCUZFLKMJPPLF-QGZVFWFLSA-N
XLogP1.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate with MolForge

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Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8571007
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46810453
ethyl N-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 5138739
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702965
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702977
(5S)-5-(2,4-dichlorophenyl)-3-(3-methoxy-3-methyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 124872753
methyl 2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetate
CID 2122537
methyl 2-[[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 4803850

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate?
The IUPAC name of methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate (CID 8570913) is methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate?
The canonical SMILES for methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate is COC(=O)CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate?
The InChIKey is OJCUZFLKMJPPLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19Cl2N3O5/c1-17(11-6-5-10(18)8-12(11)19)15(25)22(16(26)21-17)9-13(23)20-7-3-4-14(24)27-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,23)(H,21,26)/t17-/m1/s1.
What are the key properties of methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate?
methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate has a molecular weight of 416.26 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate is sourced from PubChem (CID 8570913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).