N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

C25H26N4O4 — CID 24683167

About N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24683167) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
• PubChem CID: 24683167
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
• SMILES: O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1ccc(NC(=O)C2CC2)cc1
• InChI: InChI=1S/C25H26N4O4/c30-21(26-14-16-7-11-19(12-8-16)27-22(31)18-9-10-18)15-29-23(32)25(28-24(29)33)13-3-5-17-4-1-2-6-20(17)25/h1-2,4,6-8,11-12,18H,3,5,9-10,13-15H2,(H,26,30)(H,27,31)(H,28,33)
• InChIKey: NHCFUTDPXHVYHV-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 24683167) is N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCc1ccc(NC(=O)C2CC2)cc1.

What is the InChIKey of N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?

The InChIKey is NHCFUTDPXHVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-21(26-14-16-7-11-19(12-8-16)27-22(31)18-9-10-18)15-29-23(32)25(28-24(29)33)13-3-5-17-4-1-2-6-20(17)25/h1-2,4,6-8,11-12,18H,3,5,9-10,13-15H2,(H,26,30)(H,27,31)(H,28,33).

What are the key properties of N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?

N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24683167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).