2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C23H21N3O2 — CID 45493262

IUPAC2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCc1ccncc1
InChIInChI=1S/C23H21N3O2/c27-23(25-15-18-8-11-24-12-9-18)16-26-13-10-20-14-21(6-7-22(20)26)28-17-19-4-2-1-3-5-19/h1-14H,15-17H2,(H,25,27)
InChIKeyJTEZHHPLOPOOFJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.93
Rot. Bonds7

About 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 45493262) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID45493262
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCc1ccncc1
InChIInChI=1S/C23H21N3O2/c27-23(25-15-18-8-11-24-12-9-18)16-26-13-10-20-14-21(6-7-22(20)26)28-17-19-4-2-1-3-5-19/h1-14H,15-17H2,(H,25,27)
InChIKeyJTEZHHPLOPOOFJ-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 55718467
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208
2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 45493262) is 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCc1ccncc1.
What is the InChIKey of 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is JTEZHHPLOPOOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(25-15-18-8-11-24-12-9-18)16-26-13-10-20-14-21(6-7-22(20)26)28-17-19-4-2-1-3-5-19/h1-14H,15-17H2,(H,25,27).
What are the key properties of 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 45493262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).