N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide

C23H25N3O5 — CID 55343004

IUPACN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H25N3O5/c1-3-15-31-18-11-9-16(10-12-18)19(27)13-14-20(28)25-26-21(29)23(2,24-22(26)30)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyKDUVTWBGZYPLOO-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.94
Rot. Bonds9

About N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide

N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55343004) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55343004
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1
InChIInChI=1S/C23H25N3O5/c1-3-15-31-18-11-9-16(10-12-18)19(27)13-14-20(28)25-26-21(29)23(2,24-22(26)30)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyKDUVTWBGZYPLOO-UHFFFAOYSA-N
XLogP2.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55343004) is N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)cc1.
What is the InChIKey of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is KDUVTWBGZYPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-3-15-31-18-11-9-16(10-12-18)19(27)13-14-20(28)25-26-21(29)23(2,24-22(26)30)17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,24,30)(H,25,28).
What are the key properties of N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide?
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 423.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55343004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).