N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C26H23N3O5 — CID 25470678

IUPACN-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H23N3O5/c1-34-21-14-12-20(13-15-21)29-25(32)24(31)28(26(29)33)17-23(30)27-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyXWKLJSCNCYCKFK-JOCHJYFZSA-N
MW457.49 g/mol
LogP3.09
Rot. Bonds8

About N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 25470678) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID25470678
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H23N3O5/c1-34-21-14-12-20(13-15-21)29-25(32)24(31)28(26(29)33)17-23(30)27-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyXWKLJSCNCYCKFK-JOCHJYFZSA-N
XLogP3.09
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 25470678) is N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1ccc(N2C(=O)C(=O)N(CC(=O)N[C@H](Cc3ccccc3)c3ccccc3)C2=O)cc1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is XWKLJSCNCYCKFK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-34-21-14-12-20(13-15-21)29-25(32)24(31)28(26(29)33)17-23(30)27-22(19-10-6-3-7-11-19)16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 457.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 25470678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).