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

C25H27N3O4 — CID 2114313

IUPACN-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C25H27N3O4/c1-16(2)14-22(30)26-19-11-9-18(10-12-19)21(29)15-28-23(31)25(27-24(28)32)13-5-7-17-6-3-4-8-20(17)25/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1
InChIKeyVJTIBZBHEDSVLU-VWLOTQADSA-N
MW433.51 g/mol
LogP3.64
Rot. Bonds6

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

N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide (PubChem CID 2114313) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
PubChem CID2114313
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C25H27N3O4/c1-16(2)14-22(30)26-19-11-9-18(10-12-19)21(29)15-28-23(31)25(27-24(28)32)13-5-7-17-6-3-4-8-20(17)25/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1
InChIKeyVJTIBZBHEDSVLU-VWLOTQADSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.64
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

N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide
CID 41136102
N-[4-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
CID 40859344
N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
CID 40859338
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
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
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
N-(4-bromophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 3356130
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
3-methyl-N-[4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]phenyl]butanamide
CID 7171116
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 N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide (CID 2114313) is N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide?
The InChIKey is VJTIBZBHEDSVLU-VWLOTQADSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16(2)14-22(30)26-19-11-9-18(10-12-19)21(29)15-28-23(31)25(27-24(28)32)13-5-7-17-6-3-4-8-20(17)25/h3-4,6,8-12,16H,5,7,13-15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide?
N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide has a molecular weight of 433.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 2114313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).