N-(2-indol-1-ylethyl)-4-methoxybenzamide

C18H18N2O2 — CID 3236755

IUPACN-(2-indol-1-ylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2ccc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-22-16-8-6-15(7-9-16)18(21)19-11-13-20-12-10-14-4-2-3-5-17(14)20/h2-10,12H,11,13H2,1H3,(H,19,21)
InChIKeyGVODNZQXOYTMPT-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.08
Rot. Bonds5

About N-(2-indol-1-ylethyl)-4-methoxybenzamide

N-(2-indol-1-ylethyl)-4-methoxybenzamide (PubChem CID 3236755) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-4-methoxybenzamide
PubChem CID3236755
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-indol-1-ylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2ccc3ccccc32)cc1
InChIInChI=1S/C18H18N2O2/c1-22-16-8-6-15(7-9-16)18(21)19-11-13-20-12-10-14-4-2-3-5-17(14)20/h2-10,12H,11,13H2,1H3,(H,19,21)
InChIKeyGVODNZQXOYTMPT-UHFFFAOYSA-N
XLogP3.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-4-methoxybenzamide?
The IUPAC name of N-(2-indol-1-ylethyl)-4-methoxybenzamide (CID 3236755) is N-(2-indol-1-ylethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1.
What is the InChIKey of N-(2-indol-1-ylethyl)-4-methoxybenzamide?
The InChIKey is GVODNZQXOYTMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-8-6-15(7-9-16)18(21)19-11-13-20-12-10-14-4-2-3-5-17(14)20/h2-10,12H,11,13H2,1H3,(H,19,21).
What are the key properties of N-(2-indol-1-ylethyl)-4-methoxybenzamide?
N-(2-indol-1-ylethyl)-4-methoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-4-methoxybenzamide is sourced from PubChem (CID 3236755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).