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

C21H20N4O5 — CID 24565411

IUPAC2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H20N4O5/c1-23(15-8-10-16(11-9-15)25(29)30)18(26)13-24-19(27)21(22-20(24)28)12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,22,28)
InChIKeyNWSHHCIFBJVFMR-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.34
Rot. Bonds4

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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 24565411) 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-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID24565411
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-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H20N4O5/c1-23(15-8-10-16(11-9-15)25(29)30)18(26)13-24-19(27)21(22-20(24)28)12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,22,28)
InChIKeyNWSHHCIFBJVFMR-UHFFFAOYSA-N
XLogP2.34
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
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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Related Compounds

(4-nitrophenyl)methyl 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetate
CID 8587487
N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
N-(2-chloro-5-nitrophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706115
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7240537
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 41179879
N-cyclohexyl-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 17390409
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 43027899
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dipropylacetamide
CID 51162050
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide (CID 24565411) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide is CN(C(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is NWSHHCIFBJVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-23(15-8-10-16(11-9-15)25(29)30)18(26)13-24-19(27)21(22-20(24)28)12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,22,28).
What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide?
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 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-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 24565411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).