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

C20H23N3O — CID 71144290

IUPAC4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N3O/c1-15-14-17-6-4-5-7-19(17)23(15)13-12-21-20(24)16-8-10-18(11-9-16)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyDAJGGXWRCFSEMN-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.45
Rot. Bonds5

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

4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 71144290) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID71144290
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H23N3O/c1-15-14-17-6-4-5-7-19(17)23(15)13-12-21-20(24)16-8-10-18(11-9-16)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,24)
InChIKeyDAJGGXWRCFSEMN-UHFFFAOYSA-N
XLogP3.45
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 71144290) is 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is DAJGGXWRCFSEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-14-17-6-4-5-7-19(17)23(15)13-12-21-20(24)16-8-10-18(11-9-16)22(2)3/h4-11,14H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71144290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).