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

C22H25N3O4 — CID 108510193

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H25N3O4/c1-14(15-8-9-19(28-2)20(12-15)29-3)25-22(27)21(26)23-11-10-16-13-24-18-7-5-4-6-17(16)18/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyUJUDWODNJRYKNF-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.72
Rot. Bonds7

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

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 108510193) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID108510193
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H25N3O4/c1-14(15-8-9-19(28-2)20(12-15)29-3)25-22(27)21(26)23-11-10-16-13-24-18-7-5-4-6-17(16)18/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyUJUDWODNJRYKNF-UHFFFAOYSA-N
XLogP2.72
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511092
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 40855593
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2S,3S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 25427179
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 108510193) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is COc1ccc(C(C)NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is UJUDWODNJRYKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(15-8-9-19(28-2)20(12-15)29-3)25-22(27)21(26)23-11-10-16-13-24-18-7-5-4-6-17(16)18/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 395.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 108510193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).