2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide

C25H28N4O5 — CID 24547274

IUPAC2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1C
InChIInChI=1S/C25H28N4O5/c1-15-8-6-12-20(16(15)2)34-17(3)22(31)28-27-21(30)14-29-23(32)25(26-24(29)33)13-7-10-18-9-4-5-11-19(18)25/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,26,33)(H,27,30)(H,28,31)
InChIKeyCHVBZYPPXRMOSW-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.00
Rot. Bonds5

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

2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide (PubChem CID 24547274) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide
PubChem CID24547274
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1C
InChIInChI=1S/C25H28N4O5/c1-15-8-6-12-20(16(15)2)34-17(3)22(31)28-27-21(30)14-29-23(32)25(26-24(29)33)13-7-10-18-9-4-5-11-19(18)25/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,26,33)(H,27,30)(H,28,31)
InChIKeyCHVBZYPPXRMOSW-UHFFFAOYSA-N
XLogP2.00
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4810168
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18097547
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 51202201
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-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40745155
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 92534606
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40777905

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide (CID 24547274) is 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide?
The InChIKey is CHVBZYPPXRMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-15-8-6-12-20(16(15)2)34-17(3)22(31)28-27-21(30)14-29-23(32)25(26-24(29)33)13-7-10-18-9-4-5-11-19(18)25/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,26,33)(H,27,30)(H,28,31).
What are the key properties of 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide?
2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide has a molecular weight of 464.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N'-[2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetyl]propanehydrazide is sourced from PubChem (CID 24547274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).