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

C25H28N4O6 — CID 41187152

IUPACN-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1OCC
InChIInChI=1S/C25H28N4O6/c1-3-34-19-12-11-17(14-20(19)35-4-2)26-23(32)27-21(30)15-29-22(31)25(28-24(29)33)13-7-9-16-8-5-6-10-18(16)25/h5-6,8,10-12,14H,3-4,7,9,13,15H2,1-2H3,(H,28,33)(H2,26,27,30,32)/t25-/m1/s1
InChIKeyFHSIWPYFIYPCRK-RUZDIDTESA-N
MW480.52 g/mol
LogP2.92
Rot. Bonds7

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

N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 41187152) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID41187152
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1OCC
InChIInChI=1S/C25H28N4O6/c1-3-34-19-12-11-17(14-20(19)35-4-2)26-23(32)27-21(30)15-29-22(31)25(28-24(29)33)13-7-9-16-8-5-6-10-18(16)25/h5-6,8,10-12,14H,3-4,7,9,13,15H2,1-2H3,(H,28,33)(H2,26,27,30,32)/t25-/m1/s1
InChIKeyFHSIWPYFIYPCRK-RUZDIDTESA-N
XLogP2.92
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(methylcarbamoyl)acetamide
CID 2633587
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(benzylcarbamoyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2659902
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenoxyphenyl)acetamide
CID 40942076
N-(3,4-difluorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706022
N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 16546260
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-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16544882
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 43027998

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (CID 41187152) is N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is CCOc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is FHSIWPYFIYPCRK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O6/c1-3-34-19-12-11-17(14-20(19)35-4-2)26-23(32)27-21(30)15-29-22(31)25(28-24(29)33)13-7-9-16-8-5-6-10-18(16)25/h5-6,8,10-12,14H,3-4,7,9,13,15H2,1-2H3,(H,28,33)(H2,26,27,30,32)/t25-/m1/s1.
What are the key properties of N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 480.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 41187152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).