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

C21H19N3O4 — CID 2702812

IUPACN-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C21H19N3O4/c1-13(25)15-7-3-5-9-17(15)22-18(26)12-24-19(27)21(23-20(24)28)11-10-14-6-2-4-8-16(14)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,28)/t21-/m1/s1
InChIKeyPINHGQNPGXFJMJ-OAQYLSRUSA-N
MW377.40 g/mol
LogP2.22
Rot. Bonds4

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

N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 2702812) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID2702812
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C21H19N3O4/c1-13(25)15-7-3-5-9-17(15)22-18(26)12-24-19(27)21(23-20(24)28)11-10-14-6-2-4-8-16(14)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,28)/t21-/m1/s1
InChIKeyPINHGQNPGXFJMJ-OAQYLSRUSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.22
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

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
CID 41077087
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40857362
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 2680854
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439952
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4289491
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 41144879
N-(4-bromo-2-methylphenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 51447053
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
N-(2,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2429438
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 2702812) is N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O.
What is the InChIKey of N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is PINHGQNPGXFJMJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13(25)15-7-3-5-9-17(15)22-18(26)12-24-19(27)21(23-20(24)28)11-10-14-6-2-4-8-16(14)21/h2-9H,10-12H2,1H3,(H,22,26)(H,23,28)/t21-/m1/s1.
What are the key properties of N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 2702812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).