2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide

C21H20N2O3 — CID 2462253

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1
InChIInChI=1S/C21H20N2O3/c1-26-16-10-8-15(9-11-16)22-20(24)13-23-12-18(21(25)14-6-7-14)17-4-2-3-5-19(17)23/h2-5,8-12,14H,6-7,13H2,1H3,(H,22,24)
InChIKeyPGRQVVAABHWQCS-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.88
Rot. Bonds6

About 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2462253) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID2462253
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1
InChIInChI=1S/C21H20N2O3/c1-26-16-10-8-15(9-11-16)22-20(24)13-23-12-18(21(25)14-6-7-14)17-4-2-3-5-19(17)23/h2-5,8-12,14H,6-7,13H2,1H3,(H,22,24)
InChIKeyPGRQVVAABHWQCS-UHFFFAOYSA-N
XLogP3.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide (CID 2462253) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PGRQVVAABHWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-16-10-8-15(9-11-16)22-20(24)13-23-12-18(21(25)14-6-7-14)17-4-2-3-5-19(17)23/h2-5,8-12,14H,6-7,13H2,1H3,(H,22,24).
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 348.40 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 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2462253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).