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

C22H23N3O5 — CID 2706137

IUPACN-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(OC)c1
InChIInChI=1S/C22H23N3O5/c1-29-15-9-10-17(18(12-15)30-2)23-19(26)13-25-20(27)22(24-21(25)28)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,23,26)(H,24,28)/t22-/m0/s1
InChIKeyADKJJXKDFFEQNC-QFIPXVFZSA-N
MW409.44 g/mol
LogP2.43
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 2706137) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID2706137
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(OC)c1
InChIInChI=1S/C22H23N3O5/c1-29-15-9-10-17(18(12-15)30-2)23-19(26)13-25-20(27)22(24-21(25)28)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,23,26)(H,24,28)/t22-/m0/s1
InChIKeyADKJJXKDFFEQNC-QFIPXVFZSA-N
XLogP2.43
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methoxyphenyl)acetamide
CID 2706003
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4542105
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2121448
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 42898041
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2702844
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2706117
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55344108
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 24569284
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
(4S)-3'-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41041216

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (CID 2706137) is N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is COc1ccc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is ADKJJXKDFFEQNC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-29-15-9-10-17(18(12-15)30-2)23-19(26)13-25-20(27)22(24-21(25)28)11-5-7-14-6-3-4-8-16(14)22/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3,(H,23,26)(H,24,28)/t22-/m0/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 2706137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).