N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C27H25N3O5 — CID 41144381

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(CCc3ccccc3)C1=O)oc1ccccc12
InChIInChI=1S/C27H25N3O5/c1-27(13-12-17-8-4-3-5-9-17)25(32)30(26(33)29-27)16-24(31)28-20-15-22-19(14-23(20)34-2)18-10-6-7-11-21(18)35-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)(H,29,33)/t27-/m0/s1
InChIKeyUPSPGHMTODPCRJ-MHZLTWQESA-N
MW471.51 g/mol
LogP4.48
Rot. Bonds7

About N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 41144381) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID41144381
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(CCc3ccccc3)C1=O)oc1ccccc12
InChIInChI=1S/C27H25N3O5/c1-27(13-12-17-8-4-3-5-9-17)25(32)30(26(33)29-27)16-24(31)28-20-15-22-19(14-23(20)34-2)18-10-6-7-11-21(18)35-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)(H,29,33)/t27-/m0/s1
InChIKeyUPSPGHMTODPCRJ-MHZLTWQESA-N
XLogP4.48
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.48
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

N-(2-methoxydibenzofuran-3-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41144382
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2711778
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
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2121448
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7170984
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8892864
N-(2,4-dichlorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2449403
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170941

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 41144381) is N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is COc1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(CCc3ccccc3)C1=O)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is UPSPGHMTODPCRJ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25N3O5/c1-27(13-12-17-8-4-3-5-9-17)25(32)30(26(33)29-27)16-24(31)28-20-15-22-19(14-23(20)34-2)18-10-6-7-11-21(18)35-22/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,31)(H,29,33)/t27-/m0/s1.
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 471.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 41144381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).