2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide

C22H22N4O5 — CID 99871300

IUPAC2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC
InChIInChI=1S/C22H22N4O5/c1-30-18-6-3-13(9-19(18)31-2)12-26-21(28)17(25-22(26)29)11-20(27)24-15-4-5-16-14(10-15)7-8-23-16/h3-10,17,23H,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-/m1/s1
InChIKeyVURRWVMBQQNAMG-QGZVFWFLSA-N
MW422.44 g/mol
LogP2.63
Rot. Bonds7

About 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide

2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide (PubChem CID 99871300) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
PubChem CID99871300
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC
InChIInChI=1S/C22H22N4O5/c1-30-18-6-3-13(9-19(18)31-2)12-26-21(28)17(25-22(26)29)11-20(27)24-15-4-5-16-14(10-15)7-8-23-16/h3-10,17,23H,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-/m1/s1
InChIKeyVURRWVMBQQNAMG-QGZVFWFLSA-N
XLogP2.63
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
CID 75491516
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
CID 99871195
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557
N-(1H-indol-5-yl)-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210248
N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71828705
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methylpropyl)acetamide
CID 75490972
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 122169366
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
N-(1,3-benzothiazol-2-yl)-2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828808
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-4-yl)propanamide
CID 75531635
2-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 162946269

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide?
The IUPAC name of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide (CID 99871300) is 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide.
What is the SMILES notation for 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide?
The canonical SMILES for 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide is COc1ccc(CN2C(=O)N[C@H](CC(=O)Nc3ccc4[nH]ccc4c3)C2=O)cc1OC.
What is the InChIKey of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide?
The InChIKey is VURRWVMBQQNAMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-30-18-6-3-13(9-19(18)31-2)12-26-21(28)17(25-22(26)29)11-20(27)24-15-4-5-16-14(10-15)7-8-23-16/h3-10,17,23H,11-12H2,1-2H3,(H,24,27)(H,25,29)/t17-/m1/s1.
What are the key properties of 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide?
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide has a molecular weight of 422.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide is sourced from PubChem (CID 99871300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).