2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C18H18N2O2 — CID 858406

IUPAC2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-22-17-9-5-2-6-13(17)11-20-18(21)10-14-12-19-16-8-4-3-7-15(14)16/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeyUXGRYIICOVEKBZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.04
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 858406) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID858406
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-22-17-9-5-2-6-13(17)11-20-18(21)10-14-12-19-16-8-4-3-7-15(14)16/h2-9,12,19H,10-11H2,1H3,(H,20,21)
InChIKeyUXGRYIICOVEKBZ-UHFFFAOYSA-N
XLogP3.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 858406) is 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is UXGRYIICOVEKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-17-9-5-2-6-13(17)11-20-18(21)10-14-12-19-16-8-4-3-7-15(14)16/h2-9,12,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 858406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).