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

C22H21N3O4 — CID 16544882

IUPACN-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)16-7-4-9-17(12-16)23-19(27)13-25-20(28)22(24-21(25)29)11-5-8-15-6-2-3-10-18(15)22/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,27)(H,24,29)
InChIKeySBTBFXCFLCTHRE-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.61
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 16544882) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID16544882
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)16-7-4-9-17(12-16)23-19(27)13-25-20(28)22(24-21(25)29)11-5-8-15-6-2-3-10-18(15)22/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,27)(H,24,29)
InChIKeySBTBFXCFLCTHRE-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

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-iodophenyl)acetamide
CID 4810208
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-fluorophenyl)acetamide
CID 2706138
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2706003
N-(3-acetylphenyl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772043
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
N-(3,4-difluorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706022
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-fluorophenyl)acetamide
CID 24979383
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 166227552

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide (CID 16544882) is N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is SBTBFXCFLCTHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)16-7-4-9-17(12-16)23-19(27)13-25-20(28)22(24-21(25)29)11-5-8-15-6-2-3-10-18(15)22/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,27)(H,24,29).
What are the key properties of N-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide?
N-(3-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-(3-acetylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 16544882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).