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

C22H22N2O3 — CID 1088985

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1
InChIInChI=1S/C22H22N2O3/c1-2-27-17-11-9-16(10-12-17)23-21(25)14-24-13-19(22(26)15-7-8-15)18-5-3-4-6-20(18)24/h3-6,9-13,15H,2,7-8,14H2,1H3,(H,23,25)
InChIKeyLQBDMWDMOSCPOV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.27
Rot. Bonds7

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

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1088985) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID1088985
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1
InChIInChI=1S/C22H22N2O3/c1-2-27-17-11-9-16(10-12-17)23-21(25)14-24-13-19(22(26)15-7-8-15)18-5-3-4-6-20(18)24/h3-6,9-13,15H,2,7-8,14H2,1H3,(H,23,25)
InChIKeyLQBDMWDMOSCPOV-UHFFFAOYSA-N
XLogP4.27
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.27
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-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 1088985) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is LQBDMWDMOSCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-27-17-11-9-16(10-12-17)23-21(25)14-24-13-19(22(26)15-7-8-15)18-5-3-4-6-20(18)24/h3-6,9-13,15H,2,7-8,14H2,1H3,(H,23,25).
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.27, 7 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 1088985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).