2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide

C21H20N4O5 — CID 24818096

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C21H20N4O5/c1-13-8-9-16(17(11-13)25(29)30)22-18(26)12-24-19(27)21(23-20(24)28)10-4-6-14-5-2-3-7-15(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,26)(H,23,28)
InChIKeyVPTYPBADHJDSGW-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.63
Rot. Bonds4

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 24818096) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID24818096
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C21H20N4O5/c1-13-8-9-16(17(11-13)25(29)30)22-18(26)12-24-19(27)21(23-20(24)28)10-4-6-14-5-2-3-7-15(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,26)(H,23,28)
InChIKeyVPTYPBADHJDSGW-UHFFFAOYSA-N
XLogP2.63
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide (CID 24818096) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is VPTYPBADHJDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-13-8-9-16(17(11-13)25(29)30)22-18(26)12-24-19(27)21(23-20(24)28)10-4-6-14-5-2-3-7-15(14)21/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 24818096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).