N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide

C20H22N2O3 — CID 111335212

IUPACN-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-20(24,16-6-4-3-5-7-16)14-21-19(23)13-22-11-10-15-12-17(25-2)8-9-18(15)22/h3-12,24H,13-14H2,1-2H3,(H,21,23)
InChIKeyWKGNAKCVRFXQTF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.67
Rot. Bonds6

About N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide

N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 111335212) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
PubChem CID111335212
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C20H22N2O3/c1-20(24,16-6-4-3-5-7-16)14-21-19(23)13-22-11-10-15-12-17(25-2)8-9-18(15)22/h3-12,24H,13-14H2,1-2H3,(H,21,23)
InChIKeyWKGNAKCVRFXQTF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111482762
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111120024
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-indol-1-ylacetamide
CID 111481492
N-(4-hydroxy-2-methylpentyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111447043
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide (CID 111335212) is N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide is COc1ccc2c(ccn2CC(=O)NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is WKGNAKCVRFXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(24,16-6-4-3-5-7-16)14-21-19(23)13-22-11-10-15-12-17(25-2)8-9-18(15)22/h3-12,24H,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide?
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.67, 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-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 111335212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).