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

C21H25N3O — CID 90490695

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c1
InChIInChI=1S/C21H25N3O/c1-15-8-7-9-16(12-15)21(25)22-13-20(23(2)3)18-14-24(4)19-11-6-5-10-17(18)19/h5-12,14,20H,13H2,1-4H3,(H,22,25)
InChIKeyCYJCLYJURFQYHJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.52
Rot. Bonds5

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

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide (PubChem CID 90490695) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
PubChem CID90490695
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c1
InChIInChI=1S/C21H25N3O/c1-15-8-7-9-16(12-15)21(25)22-13-20(23(2)3)18-14-24(4)19-11-6-5-10-17(18)19/h5-12,14,20H,13H2,1-4H3,(H,22,25)
InChIKeyCYJCLYJURFQYHJ-UHFFFAOYSA-N
XLogP3.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90490793
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]-2,4,6-trimethylbenzamide
CID 90490718
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
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
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 90491001

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide (CID 90490695) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(c2cn(C)c3ccccc23)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide?
The InChIKey is CYJCLYJURFQYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-8-7-9-16(12-15)21(25)22-13-20(23(2)3)18-14-24(4)19-11-6-5-10-17(18)19/h5-12,14,20H,13H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide has a molecular weight of 335.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 90490695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).