3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide

C21H22N4O — CID 90490793

IUPAC3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C#N)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C21H22N4O/c1-24(2)20(18-14-25(3)19-10-5-4-9-17(18)19)13-23-21(26)16-8-6-7-15(11-16)12-22/h4-11,14,20H,13H2,1-3H3,(H,23,26)
InChIKeyASGFJHQDXMVKQH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.08
Rot. Bonds5

About 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide

3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide (PubChem CID 90490793) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
PubChem CID90490793
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C#N)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C21H22N4O/c1-24(2)20(18-14-25(3)19-10-5-4-9-17(18)19)13-23-21(26)16-8-6-7-15(11-16)12-22/h4-11,14,20H,13H2,1-3H3,(H,23,26)
InChIKeyASGFJHQDXMVKQH-UHFFFAOYSA-N
XLogP3.08
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
CID 30945646
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
CID 71780311
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide (CID 90490793) is 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide is CN(C)C(CNC(=O)c1cccc(C#N)c1)c1cn(C)c2ccccc12.
What is the InChIKey of 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
The InChIKey is ASGFJHQDXMVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24(2)20(18-14-25(3)19-10-5-4-9-17(18)19)13-23-21(26)16-8-6-7-15(11-16)12-22/h4-11,14,20H,13H2,1-3H3,(H,23,26).
What are the key properties of 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide is sourced from PubChem (CID 90490793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).