2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide

C23H24N4O5 — CID 91637557

IUPAC2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC
InChIInChI=1S/C23H24N4O5/c1-31-19-6-3-14(11-20(19)32-2)8-10-27-22(29)18(26-23(27)30)13-21(28)25-16-5-4-15-7-9-24-17(15)12-16/h3-7,9,11-12,18,24H,8,10,13H2,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1
InChIKeyIHACQMFLMVUFHN-SFHVURJKSA-N
MW436.47 g/mol
LogP2.68
Rot. Bonds8

About 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide

2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (PubChem CID 91637557) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
PubChem CID91637557
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC
InChIInChI=1S/C23H24N4O5/c1-31-19-6-3-14(11-20(19)32-2)8-10-27-22(29)18(26-23(27)30)13-21(28)25-16-5-4-15-7-9-24-17(15)12-16/h3-7,9,11-12,18,24H,8,10,13H2,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1
InChIKeyIHACQMFLMVUFHN-SFHVURJKSA-N
XLogP2.68
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.68
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

N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
CID 99871300
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
N-(1H-indol-6-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210099
N-(1H-indol-5-yl)-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210248
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 110210172
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 126417321
N-benzyl-2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 110210252
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71825761
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 100625286

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The IUPAC name of 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide (CID 91637557) is 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The canonical SMILES for 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC.
What is the InChIKey of 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
The InChIKey is IHACQMFLMVUFHN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-31-19-6-3-14(11-20(19)32-2)8-10-27-22(29)18(26-23(27)30)13-21(28)25-16-5-4-15-7-9-24-17(15)12-16/h3-7,9,11-12,18,24H,8,10,13H2,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1.
What are the key properties of 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide?
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide has a molecular weight of 436.47 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 91637557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).