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

C22H21N3O4 — CID 4990060

IUPACN-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-8-10-17(11-9-15)23-19(27)13-25-20(28)22(24-21(25)29)12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,23,27)(H,24,29)
InChIKeyLVFKUJGJXWMUHH-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.61
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 4990060) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID4990060
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-8-10-17(11-9-15)23-19(27)13-25-20(28)22(24-21(25)29)12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,23,27)(H,24,29)
InChIKeyLVFKUJGJXWMUHH-UHFFFAOYSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
4-(4-acetylphenyl)-N-(4-isopropylphenyl)piperazine-1-carboxamide
CID 16012854
2,7-Bis[3-(Dimethylamino)Propionamido]Anthraquinone
CID 10574941
N,N'-(9,10-dioxo-9,10-dihydroanthracene-2,7-diyl)bis[2-(dimethylamino)acetamide]
CID 44568710
N-(4-acetylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4271164
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]-3-fluorophenyl]acetamide
CID 8163331
N-(2-Chloro-4-methylphenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide
CID 16317499
N-(3-methyl-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-1-yl)acetamide
CID 686110
2-(ethylamino)-N-[6-[[2-(ethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 355146
2-Dimethylamino-N-(5-ethyl-6-oxo-5,6-dihydro-phenanthridin-9-yl)-acetamide
CID 10041884
2-Dimethylamino-N-(5-isopropyl-6-oxo-5,6-dihydro-phenanthridin-9-yl)-acetamide
CID 10449735
N-(3-Aminomethyl-2-isobutyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-6-yl)-acetamide
CID 22175758

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 4990060) is N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is CC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is LVFKUJGJXWMUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)15-8-10-17(11-9-15)23-19(27)13-25-20(28)22(24-21(25)29)12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11H,4,6,12-13H2,1H3,(H,23,27)(H,24,29).
What are the key properties of N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 4990060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).