N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

C22H25N3O2 — CID 108511537

IUPACN'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-3-15-8-7-9-16(4-2)20(15)25-22(27)21(26)23-13-12-17-14-24-19-11-6-5-10-18(17)19/h5-11,14,24H,3-4,12-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyBRWOPCZQSHPJQG-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.59
Rot. Bonds6

About N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 108511537) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID108511537
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3O2/c1-3-15-8-7-9-16(4-2)20(15)25-22(27)21(26)23-13-12-17-14-24-19-11-6-5-10-18(17)19/h5-11,14,24H,3-4,12-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyBRWOPCZQSHPJQG-UHFFFAOYSA-N
XLogP3.59
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dichlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 3972637
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511092
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 108511537) is N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is BRWOPCZQSHPJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-15-8-7-9-16(4-2)20(15)25-22(27)21(26)23-13-12-17-14-24-19-11-6-5-10-18(17)19/h5-11,14,24H,3-4,12-13H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 363.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 108511537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).