N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide

C23H26N4O4 — CID 55963287

IUPACN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1
InChIInChI=1S/C23H26N4O4/c1-16-5-7-17(8-6-16)3-2-4-20(28)25-18-9-11-19(12-10-18)26-21(29)13-14-27-22(30)15-24-23(27)31/h5-12H,2-4,13-15H2,1H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyMWPGTQOVPQGMMP-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.84
Rot. Bonds9

About N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide

N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide (PubChem CID 55963287) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
PubChem CID55963287
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1
InChIInChI=1S/C23H26N4O4/c1-16-5-7-17(8-6-16)3-2-4-20(28)25-18-9-11-19(12-10-18)26-21(29)13-14-27-22(30)15-24-23(27)31/h5-12H,2-4,13-15H2,1H3,(H,24,31)(H,25,28)(H,26,29)
InChIKeyMWPGTQOVPQGMMP-UHFFFAOYSA-N
XLogP2.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.84
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

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55963533
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
4-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 47046843
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
CID 55963786
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
CID 55924141
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
N-[4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
CID 55964678

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide (CID 55963287) is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1.
What is the InChIKey of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide?
The InChIKey is MWPGTQOVPQGMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-16-5-7-17(8-6-16)3-2-4-20(28)25-18-9-11-19(12-10-18)26-21(29)13-14-27-22(30)15-24-23(27)31/h5-12H,2-4,13-15H2,1H3,(H,24,31)(H,25,28)(H,26,29).
What are the key properties of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide?
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide has a molecular weight of 422.49 g/mol, XLogP of 2.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 55963287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).