N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide

C20H20N2O3 — CID 955258

IUPACN-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-3-19(23)17-12-22(18-7-5-4-6-16(17)18)13-20(24)21-14-8-10-15(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,21,24)
InChIKeyOEBMETGYDHGIRN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.88
Rot. Bonds6

About N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide

N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide (PubChem CID 955258) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide
PubChem CID955258
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C20H20N2O3/c1-3-19(23)17-12-22(18-7-5-4-6-16(17)18)13-20(24)21-14-8-10-15(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,21,24)
InChIKeyOEBMETGYDHGIRN-UHFFFAOYSA-N
XLogP3.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide (CID 955258) is N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide is CCC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The InChIKey is OEBMETGYDHGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-19(23)17-12-22(18-7-5-4-6-16(17)18)13-20(24)21-14-8-10-15(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide is sourced from PubChem (CID 955258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).