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

C27H23N3O5 — CID 2121448

IUPAC2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1C(=O)N[C@@]3(CCCc4ccccc43)C1=O)oc1ccccc12
InChIInChI=1S/C27H23N3O5/c1-34-23-13-18-17-9-3-5-11-21(17)35-22(18)14-20(23)28-24(31)15-30-25(32)27(29-26(30)33)12-6-8-16-7-2-4-10-19(16)27/h2-5,7,9-11,13-14H,6,8,12,15H2,1H3,(H,28,31)(H,29,33)/t27-/m1/s1
InChIKeyPFHPDPDLZOJVRP-HHHXNRCGSA-N
MW469.50 g/mol
LogP4.32
Rot. Bonds4

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

2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 2121448) has the molecular formula C27H23N3O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID2121448
Molecular FormulaC27H23N3O5
Molecular Weight469.50 g/mol
Exact Mass469.16
IUPAC Name2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1C(=O)N[C@@]3(CCCc4ccccc43)C1=O)oc1ccccc12
InChIInChI=1S/C27H23N3O5/c1-34-23-13-18-17-9-3-5-11-21(17)35-22(18)14-20(23)28-24(31)15-30-25(32)27(29-26(30)33)12-6-8-16-7-2-4-10-19(16)27/h2-5,7,9-11,13-14H,6,8,12,15H2,1H3,(H,28,31)(H,29,33)/t27-/m1/s1
InChIKeyPFHPDPDLZOJVRP-HHHXNRCGSA-N
XLogP4.32
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 54.32
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-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
N-(2,4-dimethoxyphenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2706137
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 16557436
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 40940422
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41192882
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 42898041
N-[(3,4-dimethoxyphenyl)methyl]-2-[(5R)-2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl]acetamide
CID 40795248
N-(2-methoxydibenzofuran-3-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144382
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144381
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 2121448) is 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CN1C(=O)N[C@@]3(CCCc4ccccc43)C1=O)oc1ccccc12.
What is the InChIKey of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is PFHPDPDLZOJVRP-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H23N3O5/c1-34-23-13-18-17-9-3-5-11-21(17)35-22(18)14-20(23)28-24(31)15-30-25(32)27(29-26(30)33)12-6-8-16-7-2-4-10-19(16)27/h2-5,7,9-11,13-14H,6,8,12,15H2,1H3,(H,28,31)(H,29,33)/t27-/m1/s1.
What are the key properties of 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 469.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 2121448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).