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

C19H20N2O3 — CID 787253

IUPACN-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-8-7-13(11-18(17)24-2)19(22)20-10-9-14-12-21-16-6-4-3-5-15(14)16/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyKQFSCRLJWBDBDM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.16
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 787253) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID787253
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-8-7-13(11-18(17)24-2)19(22)20-10-9-14-12-21-16-6-4-3-5-15(14)16/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyKQFSCRLJWBDBDM-UHFFFAOYSA-N
XLogP3.16
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide (CID 787253) is N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is KQFSCRLJWBDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-8-7-13(11-18(17)24-2)19(22)20-10-9-14-12-21-16-6-4-3-5-15(14)16/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 787253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).