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

C25H28N4O3 — CID 51842013

IUPAC3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
SMILESO=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCCc1ccccc1
InChIInChI=1S/C25H28N4O3/c30-23(26-15-6-9-18-7-2-1-3-8-18)13-12-22-24(31)29(25(32)28-22)16-14-19-17-27-21-11-5-4-10-20(19)21/h1-5,7-8,10-11,17,22,27H,6,9,12-16H2,(H,26,30)(H,28,32)/t22-/m1/s1
InChIKeyDPRQLPDNHKCVLT-JOCHJYFZSA-N
MW432.52 g/mol
LogP3.16
Rot. Bonds10

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

3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 51842013) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
PubChem CID51842013
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
SMILESO=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCCc1ccccc1
InChIInChI=1S/C25H28N4O3/c30-23(26-15-6-9-18-7-2-1-3-8-18)13-12-22-24(31)29(25(32)28-22)16-14-19-17-27-21-11-5-4-10-20(19)21/h1-5,7-8,10-11,17,22,27H,6,9,12-16H2,(H,26,30)(H,28,32)/t22-/m1/s1
InChIKeyDPRQLPDNHKCVLT-JOCHJYFZSA-N
XLogP3.16
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257190
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
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-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 124863434
N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 98399429
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51833583
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-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide (CID 51842013) is 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide is O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCCc1ccccc1.
What is the InChIKey of 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is DPRQLPDNHKCVLT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-23(26-15-6-9-18-7-2-1-3-8-18)13-12-22-24(31)29(25(32)28-22)16-14-19-17-27-21-11-5-4-10-20(19)21/h1-5,7-8,10-11,17,22,27H,6,9,12-16H2,(H,26,30)(H,28,32)/t22-/m1/s1.
What are the key properties of 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide?
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 432.52 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 51842013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).