3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide

C21H28N4O3 — CID 73257190

IUPAC3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H28N4O3/c1-14(2)9-11-22-19(26)8-7-18-20(27)25(21(28)24-18)12-10-15-13-23-17-6-4-3-5-16(15)17/h3-6,13-14,18,23H,7-12H2,1-2H3,(H,22,26)(H,24,28)
InChIKeyMEUHSGZBAZOQMP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.57
Rot. Bonds9

About 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide

3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 73257190) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID73257190
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H28N4O3/c1-14(2)9-11-22-19(26)8-7-18-20(27)25(21(28)24-18)12-10-15-13-23-17-6-4-3-5-16(15)17/h3-6,13-14,18,23H,7-12H2,1-2H3,(H,22,26)(H,24,28)
InChIKeyMEUHSGZBAZOQMP-UHFFFAOYSA-N
XLogP2.57
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124673763
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 124863434
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515
N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 98399429
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51833583
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639
methyl 2-[1-[3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanoyl]piperidin-4-yl]acetate
CID 75488747
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 91638372

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide (CID 73257190) is 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCC1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is MEUHSGZBAZOQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-14(2)9-11-22-19(26)8-7-18-20(27)25(21(28)24-18)12-10-15-13-23-17-6-4-3-5-16(15)17/h3-6,13-14,18,23H,7-12H2,1-2H3,(H,22,26)(H,24,28).
What are the key properties of 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide?
3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 73257190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).