2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide

C27H27N3O5 — CID 97072373

IUPAC2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCOc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1=O
InChIInChI=1S/C27H27N3O5/c1-18-7-6-9-22(15-18)35-21-13-11-20(12-14-21)28-24(31)17-30-25(32)27(2,29-26(30)33)16-19-8-4-5-10-23(19)34-3/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)/t27-/m1/s1
InChIKeyWGBLPWIHLQAWPV-HHHXNRCGSA-N
MW473.53 g/mol
LogP4.29
Rot. Bonds8

About 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide

2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide (PubChem CID 97072373) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
PubChem CID97072373
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCOc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1=O
InChIInChI=1S/C27H27N3O5/c1-18-7-6-9-22(15-18)35-21-13-11-20(12-14-21)28-24(31)17-30-25(32)27(2,29-26(30)33)16-19-8-4-5-10-23(19)34-3/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)/t27-/m1/s1
InChIKeyWGBLPWIHLQAWPV-HHHXNRCGSA-N
XLogP4.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide (CID 97072373) is 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide is COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is WGBLPWIHLQAWPV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-18-7-6-9-22(15-18)35-21-13-11-20(12-14-21)28-24(31)17-30-25(32)27(2,29-26(30)33)16-19-8-4-5-10-23(19)34-3/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)/t27-/m1/s1.
What are the key properties of 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide?
2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 97072373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).