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

C21H22N2O3 — CID 1091526

IUPACN-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)CC)c3ccccc32)cc1
InChIInChI=1S/C21H22N2O3/c1-3-20(24)18-13-23(19-8-6-5-7-17(18)19)14-21(25)22-15-9-11-16(12-10-15)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,22,25)
InChIKeyCJZRZJXBMNOYJN-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.27
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide (PubChem CID 1091526) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide
PubChem CID1091526
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)CC)c3ccccc32)cc1
InChIInChI=1S/C21H22N2O3/c1-3-20(24)18-13-23(19-8-6-5-7-17(18)19)14-21(25)22-15-9-11-16(12-10-15)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,22,25)
InChIKeyCJZRZJXBMNOYJN-UHFFFAOYSA-N
XLogP4.27
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide (CID 1091526) is N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)CC)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The InChIKey is CJZRZJXBMNOYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-20(24)18-13-23(19-8-6-5-7-17(18)19)14-21(25)22-15-9-11-16(12-10-15)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide has a molecular weight of 350.42 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 N-(4-ethoxyphenyl)-2-(3-propanoylindol-1-yl)acetamide is sourced from PubChem (CID 1091526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).