N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide

C17H21N3O3 — CID 2933840

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1CCCO1
InChIInChI=1S/C17H21N3O3/c21-16(17(22)20-11-13-4-3-9-23-13)18-8-7-12-10-19-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,19H,3-4,7-9,11H2,(H,18,21)(H,20,22)
InChIKeyOSYYOPSSNWIUDH-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.12
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide (PubChem CID 2933840) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
PubChem CID2933840
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1CCCO1
InChIInChI=1S/C17H21N3O3/c21-16(17(22)20-11-13-4-3-9-23-13)18-8-7-12-10-19-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,19H,3-4,7-9,11H2,(H,18,21)(H,20,22)
InChIKeyOSYYOPSSNWIUDH-UHFFFAOYSA-N
XLogP1.12
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide (CID 2933840) is N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)NCC1CCCO1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
The InChIKey is OSYYOPSSNWIUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(17(22)20-11-13-4-3-9-23-13)18-8-7-12-10-19-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,19H,3-4,7-9,11H2,(H,18,21)(H,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide has a molecular weight of 315.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 2933840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).