N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide

C19H17NO2 — CID 54256818

IUPACN-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide
SMILESCCc1ccc(C2=C(NC(C)=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17NO2/c1-3-13-8-10-14(11-9-13)17-15-6-4-5-7-16(15)19(22)18(17)20-12(2)21/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyRAQUHPSEKGVKAG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.34
Rot. Bonds3

About N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide

N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide (PubChem CID 54256818) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide
PubChem CID54256818
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC NameN-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide
SMILESCCc1ccc(C2=C(NC(C)=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C19H17NO2/c1-3-13-8-10-14(11-9-13)17-15-6-4-5-7-16(15)19(22)18(17)20-12(2)21/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyRAQUHPSEKGVKAG-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide?
The IUPAC name of N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide (CID 54256818) is N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide is CCc1ccc(C2=C(NC(C)=O)C(=O)c3ccccc32)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide?
The InChIKey is RAQUHPSEKGVKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-13-8-10-14(11-9-13)17-15-6-4-5-7-16(15)19(22)18(17)20-12(2)21/h4-11H,3H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide?
N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-3-oxoinden-2-yl]acetamide is sourced from PubChem (CID 54256818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).