N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

C22H25N3O2 — CID 108511092

IUPACN'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H25N3O2/c1-3-16-8-10-17(11-9-16)15(2)25-22(27)21(26)23-13-12-18-14-24-20-7-5-4-6-19(18)20/h4-11,14-15,24H,3,12-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyPXNBMBOKCXGXQZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.27
Rot. Bonds6

About N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 108511092) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID108511092
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H25N3O2/c1-3-16-8-10-17(11-9-16)15(2)25-22(27)21(26)23-13-12-18-14-24-20-7-5-4-6-19(18)20/h4-11,14-15,24H,3,12-13H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyPXNBMBOKCXGXQZ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108510193
1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 7962474
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
2-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002445
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948771
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
[(1S)-1-[4-(dimethylamino)phenyl]-2-[[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium
CID 7639281

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 108511092) is N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is CCc1ccc(C(C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is PXNBMBOKCXGXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-16-8-10-17(11-9-16)15(2)25-22(27)21(26)23-13-12-18-14-24-20-7-5-4-6-19(18)20/h4-11,14-15,24H,3,12-13H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 363.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 108511092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).