2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide

C20H22N2O2 — CID 39314820

IUPAC2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H22N2O2/c1-15(2)21-20(23)13-22-11-10-17-12-18(8-9-19(17)22)24-14-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3,(H,21,23)
InChIKeyYLVUOQKYAOKNKJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.74
Rot. Bonds6

About 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide

2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide (PubChem CID 39314820) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
PubChem CID39314820
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H22N2O2/c1-15(2)21-20(23)13-22-11-10-17-12-18(8-9-19(17)22)24-14-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3,(H,21,23)
InChIKeyYLVUOQKYAOKNKJ-UHFFFAOYSA-N
XLogP3.74
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
methyl (2R)-3-methyl-2-[[2-(6-phenylmethoxyindol-1-yl)acetyl]amino]butanoate
CID 124845049
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
CID 45495139
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
benzyl N-[(2R)-1-(5-methoxyindol-1-yl)propan-2-yl]carbamate
CID 178146603
N-propan-2-yl-3-(5-propan-2-yloxyindol-1-yl)propanamide
CID 116625781
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide (CID 39314820) is 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is YLVUOQKYAOKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(2)21-20(23)13-22-11-10-17-12-18(8-9-19(17)22)24-14-16-6-4-3-5-7-16/h3-12,15H,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide?
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 322.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 39314820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).