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

C24H27N3O3 — CID 7519242

IUPAC2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-2-9-20(18-11-4-3-5-12-18)25-21(28)16-27-22(29)24(26-23(27)30)15-8-13-17-10-6-7-14-19(17)24/h3-7,10-12,14,20H,2,8-9,13,15-16H2,1H3,(H,25,28)(H,26,30)/t20-,24-/m1/s1
InChIKeyOTFSVYBFSONSNW-HYBUGGRVSA-N
MW405.50 g/mol
LogP3.43
Rot. Bonds6

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide (PubChem CID 7519242) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
PubChem CID7519242
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
SMILESCCC[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-2-9-20(18-11-4-3-5-12-18)25-21(28)16-27-22(29)24(26-23(27)30)15-8-13-17-10-6-7-14-19(17)24/h3-7,10-12,14,20H,2,8-9,13,15-16H2,1H3,(H,25,28)(H,26,30)/t20-,24-/m1/s1
InChIKeyOTFSVYBFSONSNW-HYBUGGRVSA-N
XLogP3.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2706180
2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9456729
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4810168
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40777905
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 51202201
(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168298
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide (CID 7519242) is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide is CCC[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccccc1.
What is the InChIKey of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide?
The InChIKey is OTFSVYBFSONSNW-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-9-20(18-11-4-3-5-12-18)25-21(28)16-27-22(29)24(26-23(27)30)15-8-13-17-10-6-7-14-19(17)24/h3-7,10-12,14,20H,2,8-9,13,15-16H2,1H3,(H,25,28)(H,26,30)/t20-,24-/m1/s1.
What are the key properties of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide?
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide is sourced from PubChem (CID 7519242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).