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

C26H23N3O4 — CID 40942076

IUPAC2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N3O4/c30-23(27-19-12-14-21(15-13-19)33-20-9-2-1-3-10-20)17-29-24(31)26(28-25(29)32)16-6-8-18-7-4-5-11-22(18)26/h1-5,7,9-15H,6,8,16-17H2,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyLQHWGFHYBIHMHX-SANMLTNESA-N
MW441.49 g/mol
LogP4.20
Rot. Bonds5

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

2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 40942076) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID40942076
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H23N3O4/c30-23(27-19-12-14-21(15-13-19)33-20-9-2-1-3-10-20)17-29-24(31)26(28-25(29)32)16-6-8-18-7-4-5-11-22(18)26/h1-5,7,9-15H,6,8,16-17H2,(H,27,30)(H,28,32)/t26-/m0/s1
InChIKeyLQHWGFHYBIHMHX-SANMLTNESA-N
XLogP4.20
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.20
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-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281
N-(4-bromophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 3356130
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 24682895
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40720924
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 4810150
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2706003
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(3,4-difluorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706022
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168484
propyl 4-[[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]amino]benzoate
CID 18275610

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide (CID 40942076) is 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide is O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is LQHWGFHYBIHMHX-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N3O4/c30-23(27-19-12-14-21(15-13-19)33-20-9-2-1-3-10-20)17-29-24(31)26(28-25(29)32)16-6-8-18-7-4-5-11-22(18)26/h1-5,7,9-15H,6,8,16-17H2,(H,27,30)(H,28,32)/t26-/m0/s1.
What are the key properties of 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide?
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 441.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 40942076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).