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

C22H22N2O2 — CID 963196

IUPAC2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-14-7-10-19(15(2)11-14)23-21(25)13-24-12-18(22(26)16-8-9-16)17-5-3-4-6-20(17)24/h3-7,10-12,16H,8-9,13H2,1-2H3,(H,23,25)
InChIKeyDMHNNOSYXDDKFW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.49
Rot. Bonds5

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

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 963196) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID963196
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-14-7-10-19(15(2)11-14)23-21(25)13-24-12-18(22(26)16-8-9-16)17-5-3-4-6-20(17)24/h3-7,10-12,16H,8-9,13H2,1-2H3,(H,23,25)
InChIKeyDMHNNOSYXDDKFW-UHFFFAOYSA-N
XLogP4.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 963196) is 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)c(C)c1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is DMHNNOSYXDDKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-14-7-10-19(15(2)11-14)23-21(25)13-24-12-18(22(26)16-8-9-16)17-5-3-4-6-20(17)24/h3-7,10-12,16H,8-9,13H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 963196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).