3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide

C23H24N4O5 — CID 99871195

IUPAC3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC
InChIInChI=1S/C23H24N4O5/c1-31-19-7-3-14(11-20(19)32-2)13-27-22(29)17(26-23(27)30)6-8-21(28)25-16-5-4-15-9-10-24-18(15)12-16/h3-5,7,9-12,17,24H,6,8,13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m1/s1
InChIKeySXJWMYTVNNJBDY-QGZVFWFLSA-N
MW436.47 g/mol
LogP3.02
Rot. Bonds8

About 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide

3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide (PubChem CID 99871195) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
PubChem CID99871195
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC
InChIInChI=1S/C23H24N4O5/c1-31-19-7-3-14(11-20(19)32-2)13-27-22(29)17(26-23(27)30)6-8-21(28)25-16-5-4-15-9-10-24-18(15)12-16/h3-5,7,9-12,17,24H,6,8,13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m1/s1
InChIKeySXJWMYTVNNJBDY-QGZVFWFLSA-N
XLogP3.02
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 ≤ 53.02
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
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-5-yl)acetamide
CID 99871300
N-(1H-indol-6-yl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210099
2-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)acetamide
CID 91637557
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-4-yl)propanamide
CID 75531635
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 99870995
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124906590
N-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357094
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51829737
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide?
The IUPAC name of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide (CID 99871195) is 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide?
The canonical SMILES for 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide is COc1ccc(CN2C(=O)N[C@H](CCC(=O)Nc3ccc4cc[nH]c4c3)C2=O)cc1OC.
What is the InChIKey of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide?
The InChIKey is SXJWMYTVNNJBDY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-31-19-7-3-14(11-20(19)32-2)13-27-22(29)17(26-23(27)30)6-8-21(28)25-16-5-4-15-9-10-24-18(15)12-16/h3-5,7,9-12,17,24H,6,8,13H2,1-2H3,(H,25,28)(H,26,30)/t17-/m1/s1.
What are the key properties of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide?
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide has a molecular weight of 436.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide is sourced from PubChem (CID 99871195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).