N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide

C17H23N3O2 — CID 108528550

IUPACN'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-3-4-11-20(2)17(22)16(21)18-10-9-13-12-19-15-8-6-5-7-14(13)15/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyHIMSQDOREYHHME-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.09
Rot. Bonds6

About N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide

N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide (PubChem CID 108528550) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
PubChem CID108528550
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-3-4-11-20(2)17(22)16(21)18-10-9-13-12-19-15-8-6-5-7-14(13)15/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyHIMSQDOREYHHME-UHFFFAOYSA-N
XLogP2.09
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
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'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985537
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CID 113115765
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-[2-(dimethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 8669325
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide?
The IUPAC name of N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide (CID 108528550) is N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide.
What is the SMILES notation for N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide?
The canonical SMILES for N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide is CCCCN(C)C(=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide?
The InChIKey is HIMSQDOREYHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-11-20(2)17(22)16(21)18-10-9-13-12-19-15-8-6-5-7-14(13)15/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,18,21).
What are the key properties of N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide?
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide has a molecular weight of 301.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide is sourced from PubChem (CID 108528550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).