N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide

C21H24N2O2 — CID 108726376

IUPACN-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2/c1-16(2)15-25-19-9-7-18(8-10-19)21(24)22-12-14-23-13-11-17-5-3-4-6-20(17)23/h3-11,13,16H,12,14-15H2,1-2H3,(H,22,24)
InChIKeyIPRNMIRHFJHQAF-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.11
Rot. Bonds7

About N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide

N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide (PubChem CID 108726376) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
PubChem CID108726376
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1
InChIInChI=1S/C21H24N2O2/c1-16(2)15-25-19-9-7-18(8-10-19)21(24)22-12-14-23-13-11-17-5-3-4-6-20(17)23/h3-11,13,16H,12,14-15H2,1-2H3,(H,22,24)
InChIKeyIPRNMIRHFJHQAF-UHFFFAOYSA-N
XLogP4.11
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
3-ethoxy-N-(2-indol-1-ylethyl)benzamide
CID 108726430
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
2-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)acetamide
CID 5244033
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-ethoxy-N-[1-(3-indol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 42910684
N-(2-indol-1-ylethyl)-2,6-dimethoxybenzamide
CID 110732644
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-indol-1-ylethyl)benzamide
CID 108726459
lithium 3-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 23705726
N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 53368524
(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide
CID 108750545
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273

Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide (CID 108726376) is N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1.
What is the InChIKey of N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is IPRNMIRHFJHQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(2)15-25-19-9-7-18(8-10-19)21(24)22-12-14-23-13-11-17-5-3-4-6-20(17)23/h3-11,13,16H,12,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide?
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 108726376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).