2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide

C20H20N2O3 — CID 2228390

IUPAC2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1
InChIInChI=1S/C20H20N2O3/c1-13-20(14(2)23)17-9-4-5-10-18(17)22(13)12-19(24)21-15-7-6-8-16(11-15)25-3/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyYHXNZPCDWUUJCR-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 2228390) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID2228390
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1
InChIInChI=1S/C20H20N2O3/c1-13-20(14(2)23)17-9-4-5-10-18(17)22(13)12-19(24)21-15-7-6-8-16(11-15)25-3/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyYHXNZPCDWUUJCR-UHFFFAOYSA-N
XLogP3.80
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 2228390) is 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1.
What is the InChIKey of 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is YHXNZPCDWUUJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-20(14(2)23)17-9-4-5-10-18(17)22(13)12-19(24)21-15-7-6-8-16(11-15)25-3/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methylindol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2228390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).