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

C22H27N3O — CID 90680535

IUPAC4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C22H27N3O/c1-4-24(5-2)20-12-10-18(11-13-20)22(26)23-14-15-25-17(3)16-19-8-6-7-9-21(19)25/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyAZACIONLWCBJFF-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.23
Rot. Bonds7

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

4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 90680535) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID90680535
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C22H27N3O/c1-4-24(5-2)20-12-10-18(11-13-20)22(26)23-14-15-25-17(3)16-19-8-6-7-9-21(19)25/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyAZACIONLWCBJFF-UHFFFAOYSA-N
XLogP4.23
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 90680535) is 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is CCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1.
What is the InChIKey of 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is AZACIONLWCBJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-24(5-2)20-12-10-18(11-13-20)22(26)23-14-15-25-17(3)16-19-8-6-7-9-21(19)25/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 349.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90680535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).