2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide

C18H24ClN3O4 — CID 91823474

IUPAC2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide
SMILESCCC(C)C(CO)NC(=O)CC1NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H24ClN3O4/c1-3-11(2)15(10-23)20-16(24)8-14-17(25)22(18(26)21-14)9-12-5-4-6-13(19)7-12/h4-7,11,14-15,23H,3,8-10H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyGUCVUFLGYKMFSD-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.67
Rot. Bonds8

About 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide

2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide (PubChem CID 91823474) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide
PubChem CID91823474
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide
SMILESCCC(C)C(CO)NC(=O)CC1NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H24ClN3O4/c1-3-11(2)15(10-23)20-16(24)8-14-17(25)22(18(26)21-14)9-12-5-4-6-13(19)7-12/h4-7,11,14-15,23H,3,8-10H2,1-2H3,(H,20,24)(H,21,26)
InChIKeyGUCVUFLGYKMFSD-UHFFFAOYSA-N
XLogP1.67
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 124861270
2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 124862622
2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 124862048
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 124864374
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638711
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 91638329
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 125284795
N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124862347
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 162946269
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91637144
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864251
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864253

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide (CID 91823474) is 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide is CCC(C)C(CO)NC(=O)CC1NC(=O)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide?
The InChIKey is GUCVUFLGYKMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c1-3-11(2)15(10-23)20-16(24)8-14-17(25)22(18(26)21-14)9-12-5-4-6-13(19)7-12/h4-7,11,14-15,23H,3,8-10H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide?
2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide has a molecular weight of 381.86 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide is sourced from PubChem (CID 91823474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).