4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C23H29N3O2 — CID 90680575

IUPAC4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C23H29N3O2/c1-5-25(6-2)21-12-11-19(16-22(21)28-4)23(27)24-13-14-26-17(3)15-18-9-7-8-10-20(18)26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyVELCBSKNWUVZNQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.23
Rot. Bonds8

About 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 90680575) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID90680575
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC
InChIInChI=1S/C23H29N3O2/c1-5-25(6-2)21-12-11-19(16-22(21)28-4)23(27)24-13-14-26-17(3)15-18-9-7-8-10-20(18)26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,27)
InChIKeyVELCBSKNWUVZNQ-UHFFFAOYSA-N
XLogP4.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 90680575) is 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is CCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC.
What is the InChIKey of 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is VELCBSKNWUVZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-25(6-2)21-12-11-19(16-22(21)28-4)23(27)24-13-14-26-17(3)15-18-9-7-8-10-20(18)26/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,27).
What are the key properties of 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3-methoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90680575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).