2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate

C15H19NO3 — CID 25140030

IUPAC2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate
SMILESCC(=O)Nc1cccc2c1CC(CCOC(C)=O)C2
InChIInChI=1S/C15H19NO3/c1-10(17)16-15-5-3-4-13-8-12(9-14(13)15)6-7-19-11(2)18/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyZIWQGUGJUIILAD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate

2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate (PubChem CID 25140030) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate
PubChem CID25140030
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate
SMILESCC(=O)Nc1cccc2c1CC(CCOC(C)=O)C2
InChIInChI=1S/C15H19NO3/c1-10(17)16-15-5-3-4-13-8-12(9-14(13)15)6-7-19-11(2)18/h3-5,12H,6-9H2,1-2H3,(H,16,17)
InChIKeyZIWQGUGJUIILAD-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate?
The IUPAC name of 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate (CID 25140030) is 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate.
What is the SMILES notation for 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate?
The canonical SMILES for 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate is CC(=O)Nc1cccc2c1CC(CCOC(C)=O)C2.
What is the InChIKey of 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate?
The InChIKey is ZIWQGUGJUIILAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(17)16-15-5-3-4-13-8-12(9-14(13)15)6-7-19-11(2)18/h3-5,12H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate?
2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate has a molecular weight of 261.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-2,3-dihydro-1H-inden-2-yl)ethyl acetate is sourced from PubChem (CID 25140030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).