N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

C18H18N2O2 — CID 699107

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-8-6-13(7-9-15)18(21)19-11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3,(H,19,21)
InChIKeyLABMYGHGOYWMEO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide

N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide (PubChem CID 699107) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
PubChem CID699107
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-8-6-13(7-9-15)18(21)19-11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3,(H,19,21)
InChIKeyLABMYGHGOYWMEO-UHFFFAOYSA-N
XLogP3.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide (CID 699107) is N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
The InChIKey is LABMYGHGOYWMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-8-6-13(7-9-15)18(21)19-11-10-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.15, 5 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]-4-methoxybenzamide is sourced from PubChem (CID 699107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).