2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide

C26H30ClN3O5 — CID 23380028

IUPAC2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCCON1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)C(=O)C1Cc1ccccc1
InChIInChI=1S/C26H30ClN3O5/c1-6-35-30-20(15-17-10-8-7-9-11-17)24(33)29(25(30)34)21(22(31)26(3,4)5)23(32)28-19-14-16(2)12-13-18(19)27/h7-14,20-21H,6,15H2,1-5H3,(H,28,32)
InChIKeyCBXDZLGIIRSHGA-UHFFFAOYSA-N
MW500.00 g/mol
LogP4.40
Rot. Bonds8

About 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide

2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide (PubChem CID 23380028) has the molecular formula C26H30ClN3O5 and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
PubChem CID23380028
Molecular FormulaC26H30ClN3O5
Molecular Weight500.00 g/mol
Exact Mass499.19
IUPAC Name2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCCON1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)C(=O)C1Cc1ccccc1
InChIInChI=1S/C26H30ClN3O5/c1-6-35-30-20(15-17-10-8-7-9-11-17)24(33)29(25(30)34)21(22(31)26(3,4)5)23(32)28-19-14-16(2)12-13-18(19)27/h7-14,20-21H,6,15H2,1-5H3,(H,28,32)
InChIKeyCBXDZLGIIRSHGA-UHFFFAOYSA-N
XLogP4.40
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-[2-chloro-5-[1-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]propoxymethylamino]phenyl]-4,4-dimethyl-3-oxopentanamide
CID 20722333
N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide
CID 22947164
2-(1-benzyl-2-ethoxy-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-(2-chloro-5-methylphenyl)-3-(4-methoxyphenyl)-3-oxopropanamide
CID 20822654
N-(5-acetamido-2-butoxy-4-chlorophenyl)-2-(3-benzyl-4-methoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanamide
CID 59929614
ethyl 2-[(2-chloro-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 104918215
N-(2-chloro-5-methylphenyl)-2-(4-methoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-oxo-3-(1-phenylindazol-3-yl)propanamide
CID 23562173
2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(5-chloro-2-octadecoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 102021840
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540016
dodecyl 4-chloro-3-[[2-(4-ethoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(4-methylphenyl)-3-oxopropanoyl]amino]benzoate
CID 59903027
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
4-[(2-chloro-5-methylphenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 107636358
3-[tert-butyl-[(2-chloro-5-methylphenyl)carbamoyl]amino]propanoic acid
CID 107627589

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
The IUPAC name of 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide (CID 23380028) is 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide is CCON1C(=O)N(C(C(=O)Nc2cc(C)ccc2Cl)C(=O)C(C)(C)C)C(=O)C1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
The InChIKey is CBXDZLGIIRSHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O5/c1-6-35-30-20(15-17-10-8-7-9-11-17)24(33)29(25(30)34)21(22(31)26(3,4)5)23(32)28-19-14-16(2)12-13-18(19)27/h7-14,20-21H,6,15H2,1-5H3,(H,28,32).
What are the key properties of 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide?
2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 500.00 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-(2-chloro-5-methylphenyl)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 23380028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).