N-(2-indol-1-ylethyl)-3-methoxybenzamide

C18H18N2O2 — CID 4550499

IUPACN-(2-indol-1-ylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCn2ccc3ccccc32)c1
InChIInChI=1S/C18H18N2O2/c1-22-16-7-4-6-15(13-16)18(21)19-10-12-20-11-9-14-5-2-3-8-17(14)20/h2-9,11,13H,10,12H2,1H3,(H,19,21)
InChIKeyGLPKFEYTIRMYNO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.08
Rot. Bonds5

About N-(2-indol-1-ylethyl)-3-methoxybenzamide

N-(2-indol-1-ylethyl)-3-methoxybenzamide (PubChem CID 4550499) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-3-methoxybenzamide
PubChem CID4550499
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-indol-1-ylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCn2ccc3ccccc32)c1
InChIInChI=1S/C18H18N2O2/c1-22-16-7-4-6-15(13-16)18(21)19-10-12-20-11-9-14-5-2-3-8-17(14)20/h2-9,11,13H,10,12H2,1H3,(H,19,21)
InChIKeyGLPKFEYTIRMYNO-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)-3-methoxybenzamide?
The IUPAC name of N-(2-indol-1-ylethyl)-3-methoxybenzamide (CID 4550499) is N-(2-indol-1-ylethyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCCn2ccc3ccccc32)c1.
What is the InChIKey of N-(2-indol-1-ylethyl)-3-methoxybenzamide?
The InChIKey is GLPKFEYTIRMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-7-4-6-15(13-16)18(21)19-10-12-20-11-9-14-5-2-3-8-17(14)20/h2-9,11,13H,10,12H2,1H3,(H,19,21).
What are the key properties of N-(2-indol-1-ylethyl)-3-methoxybenzamide?
N-(2-indol-1-ylethyl)-3-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)-3-methoxybenzamide is sourced from PubChem (CID 4550499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).