2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide

C19H20N4O4 — CID 124864442

IUPAC2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccncc3)C2=O)cc1
InChIInChI=1S/C19H20N4O4/c1-27-15-4-2-14(3-5-15)12-23-18(25)16(22-19(23)26)10-17(24)21-11-13-6-8-20-9-7-13/h2-9,16H,10-12H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
InChIKeyYEVIRXHOZLOGKA-MRXNPFEDSA-N
MW368.39 g/mol
LogP1.22
Rot. Bonds7

About 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide

2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 124864442) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID124864442
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccncc3)C2=O)cc1
InChIInChI=1S/C19H20N4O4/c1-27-15-4-2-14(3-5-15)12-23-18(25)16(22-19(23)26)10-17(24)21-11-13-6-8-20-9-7-13/h2-9,16H,10-12H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
InChIKeyYEVIRXHOZLOGKA-MRXNPFEDSA-N
XLogP1.22
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.22
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

3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
N-[2-(dimethylamino)ethyl]-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356959
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71709403
N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356866
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 75492502
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828189

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide (CID 124864442) is 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide is COc1ccc(CN2C(=O)N[C@H](CC(=O)NCc3ccncc3)C2=O)cc1.
What is the InChIKey of 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is YEVIRXHOZLOGKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-27-15-4-2-14(3-5-15)12-23-18(25)16(22-19(23)26)10-17(24)21-11-13-6-8-20-9-7-13/h2-9,16H,10-12H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1.
What are the key properties of 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 124864442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).