ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate

C19H25NO5 — CID 57227775

IUPACethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
SMILESCCCCC(=O)OC1c2ccccc2CC1(NC(C)=O)C(=O)OCC
InChIInChI=1S/C19H25NO5/c1-4-6-11-16(22)25-17-15-10-8-7-9-14(15)12-19(17,20-13(3)21)18(23)24-5-2/h7-10,17H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyZXEJJKJLUPEVCA-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.46
Rot. Bonds7

About ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate

ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate (PubChem CID 57227775) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
PubChem CID57227775
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
SMILESCCCCC(=O)OC1c2ccccc2CC1(NC(C)=O)C(=O)OCC
InChIInChI=1S/C19H25NO5/c1-4-6-11-16(22)25-17-15-10-8-7-9-14(15)12-19(17,20-13(3)21)18(23)24-5-2/h7-10,17H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyZXEJJKJLUPEVCA-UHFFFAOYSA-N
XLogP2.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate (CID 57227775) is ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate is CCCCC(=O)OC1c2ccccc2CC1(NC(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
The InChIKey is ZXEJJKJLUPEVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-4-6-11-16(22)25-17-15-10-8-7-9-14(15)12-19(17,20-13(3)21)18(23)24-5-2/h7-10,17H,4-6,11-12H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate?
ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 57227775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).