4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C20H21N3O2 — CID 71144931

IUPAC4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-14-13-17-5-3-4-6-19(17)23(14)12-11-21-20(25)16-7-9-18(10-8-16)22-15(2)24/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPFOMROLDWFOLFC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.34
Rot. Bonds5

About 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 71144931) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID71144931
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-14-13-17-5-3-4-6-19(17)23(14)12-11-21-20(25)16-7-9-18(10-8-16)22-15(2)24/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPFOMROLDWFOLFC-UHFFFAOYSA-N
XLogP3.34
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 71144931) is 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1.
What is the InChIKey of 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is PFOMROLDWFOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-13-17-5-3-4-6-19(17)23(14)12-11-21-20(25)16-7-9-18(10-8-16)22-15(2)24/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71144931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).