N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide

C19H20N2O — CID 11493048

IUPACN-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O/c1-14-6-5-7-15(12-14)19(22)21(2)11-10-16-13-20-18-9-4-3-8-17(16)18/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyNYQHZXRCLMHVOA-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.79
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide

N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide (PubChem CID 11493048) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
PubChem CID11493048
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20N2O/c1-14-6-5-7-15(12-14)19(22)21(2)11-10-16-13-20-18-9-4-3-8-17(16)18/h3-9,12-13,20H,10-11H2,1-2H3
InChIKeyNYQHZXRCLMHVOA-UHFFFAOYSA-N
XLogP3.79
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808
N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 42777103
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
2-chloro-6-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
CID 113083988
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017
N-[2-(1H-indol-3-yl)ethyl]benzohydrazide
CID 151440969
3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylindol-1-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
CID 11556112
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 42777222

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide (CID 11493048) is N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide?
The InChIKey is NYQHZXRCLMHVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-6-5-7-15(12-14)19(22)21(2)11-10-16-13-20-18-9-4-3-8-17(16)18/h3-9,12-13,20H,10-11H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide?
N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 11493048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).