N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide

C20H22N2O3 — CID 111120024

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-4-6-17(14)19(23)12-21-20(24)13-22-10-9-15-11-16(25-2)7-8-18(15)22/h3-11,19,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyWFGANBBYDAOREO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.81
Rot. Bonds6

About N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 111120024) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
PubChem CID111120024
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCC(O)c2ccccc2C)c1
InChIInChI=1S/C20H22N2O3/c1-14-5-3-4-6-17(14)19(23)12-21-20(24)13-22-10-9-15-11-16(25-2)7-8-18(15)22/h3-11,19,23H,12-13H2,1-2H3,(H,21,24)
InChIKeyWFGANBBYDAOREO-UHFFFAOYSA-N
XLogP2.81
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 91645810
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212
N-(2-methylpropyl)-2-(5-propan-2-yloxyindol-1-yl)acetamide
CID 116625821
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
methyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29135985

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide (CID 111120024) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide is COc1ccc2c(ccn2CC(=O)NCC(O)c2ccccc2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is WFGANBBYDAOREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-3-4-6-17(14)19(23)12-21-20(24)13-22-10-9-15-11-16(25-2)7-8-18(15)22/h3-11,19,23H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 111120024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).