N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

C24H26N4O4 — CID 75356695

IUPACN-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CN2C(=O)NC(CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-19-8-6-17(7-9-19)16-28-23(30)20(26-24(28)31)10-11-22(29)25-13-15-27-14-12-18-4-2-3-5-21(18)27/h2-9,12,14,20H,10-11,13,15-16H2,1H3,(H,25,29)(H,26,31)
InChIKeyIKFBTFOWLOXBPK-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.67
Rot. Bonds9

About N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide

N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 75356695) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID75356695
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(CN2C(=O)NC(CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-19-8-6-17(7-9-19)16-28-23(30)20(26-24(28)31)10-11-22(29)25-13-15-27-14-12-18-4-2-3-5-21(18)27/h2-9,12,14,20H,10-11,13,15-16H2,1H3,(H,25,29)(H,26,31)
InChIKeyIKFBTFOWLOXBPK-UHFFFAOYSA-N
XLogP2.67
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.67
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-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
CID 75357103
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147
N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 75489604
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
N-(2-ethylphenyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51842022
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide (CID 75356695) is N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(CN2C(=O)NC(CCC(=O)NCCn3ccc4ccccc43)C2=O)cc1.
What is the InChIKey of N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is IKFBTFOWLOXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-32-19-8-6-17(7-9-19)16-28-23(30)20(26-24(28)31)10-11-22(29)25-13-15-27-14-12-18-4-2-3-5-21(18)27/h2-9,12,14,20H,10-11,13,15-16H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 434.50 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 75356695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).