N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C23H26N4O3 — CID 4218530

IUPACN-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-3-26(4-2)18-11-9-17(10-12-18)24-20(28)15-27-21(29)23(25-22(27)30)14-13-16-7-5-6-8-19(16)23/h5-12H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyABJSWKKVFJQZOU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 4218530) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID4218530
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1
InChIInChI=1S/C23H26N4O3/c1-3-26(4-2)18-11-9-17(10-12-18)24-20(28)15-27-21(29)23(25-22(27)30)14-13-16-7-5-6-8-19(16)23/h5-12H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyABJSWKKVFJQZOU-UHFFFAOYSA-N
XLogP2.86
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 4218530) is N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is CCN(CC)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is ABJSWKKVFJQZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-26(4-2)18-11-9-17(10-12-18)24-20(28)15-27-21(29)23(25-22(27)30)14-13-16-7-5-6-8-19(16)23/h5-12H,3-4,13-15H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 4218530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).