2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

C27H25N3O4 — CID 41218827

IUPAC2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O4/c1-34-21-13-11-20(12-14-21)24(19-8-3-2-4-9-19)28-23(31)17-30-25(32)27(29-26(30)33)16-15-18-7-5-6-10-22(18)27/h2-14,24H,15-17H2,1H3,(H,28,31)(H,29,33)/t24-,27-/m1/s1
InChIKeyLWJSLOITQJFKOD-SHQCIBLASA-N
MW455.51 g/mol
LogP3.29
Rot. Bonds6

About 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 41218827) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID41218827
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O4/c1-34-21-13-11-20(12-14-21)24(19-8-3-2-4-9-19)28-23(31)17-30-25(32)27(29-26(30)33)16-15-18-7-5-6-10-22(18)27/h2-14,24H,15-17H2,1H3,(H,28,31)(H,29,33)/t24-,27-/m1/s1
InChIKeyLWJSLOITQJFKOD-SHQCIBLASA-N
XLogP3.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.29
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

(2S)-2-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]propanoic acid
CID 119238616
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-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 92509522
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 7519242
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40777905
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 16546260
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[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 17475325
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55344108
1-phenylethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 78759598

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 41218827) is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@H](NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is LWJSLOITQJFKOD-SHQCIBLASA-N. The full InChI is InChI=1S/C27H25N3O4/c1-34-21-13-11-20(12-14-21)24(19-8-3-2-4-9-19)28-23(31)17-30-25(32)27(29-26(30)33)16-15-18-7-5-6-10-22(18)27/h2-14,24H,15-17H2,1H3,(H,28,31)(H,29,33)/t24-,27-/m1/s1.
What are the key properties of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 455.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 41218827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).