N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide

C15H19N3O2 — CID 2026350

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10(2)18-15(20)14(19)16-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyOVGSRBCHPOEULI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide (PubChem CID 2026350) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
PubChem CID2026350
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10(2)18-15(20)14(19)16-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyOVGSRBCHPOEULI-UHFFFAOYSA-N
XLogP1.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
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]-4-methyl-2-oxopentanamide
CID 20668757
N'-[1-(4-ethylphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511092
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108510193
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
(Z)-2-cyano-3-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829740
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide (CID 2026350) is N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide?
The InChIKey is OVGSRBCHPOEULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)18-15(20)14(19)16-8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,17H,7-8H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide has a molecular weight of 273.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 2026350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).