N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide

C16H20N2O2 — CID 110853395

IUPACN-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCOC1
InChIInChI=1S/C16H20N2O2/c19-16(13-4-3-9-20-11-13)17-8-7-12-10-18-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,18H,3-4,7-9,11H2,(H,17,19)
InChIKeyGWAWENLVNYPQOG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide (PubChem CID 110853395) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
PubChem CID110853395
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCCOC1
InChIInChI=1S/C16H20N2O2/c19-16(13-4-3-9-20-11-13)17-8-7-12-10-18-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,18H,3-4,7-9,11H2,(H,17,19)
InChIKeyGWAWENLVNYPQOG-UHFFFAOYSA-N
XLogP2.25
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(1H-indol-3-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552766
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
N-[2-(1H-indol-3-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267223
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112528829
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
3-amino-N-[3-(1H-indol-3-yl)propyl]cyclohexane-1-carboxamide
CID 119778828

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide (CID 110853395) is N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCCOC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide?
The InChIKey is GWAWENLVNYPQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(13-4-3-9-20-11-13)17-8-7-12-10-18-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,18H,3-4,7-9,11H2,(H,17,19).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 110853395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).