ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate

C18H24N2O5 — CID 23283705

IUPACethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1c2ccc(OC)cc2C(CCNC(C)=O)C1C(C)=O
InChIInChI=1S/C18H24N2O5/c1-5-25-18(23)20-16-7-6-13(24-4)10-15(16)14(17(20)11(2)21)8-9-19-12(3)22/h6-7,10,14,17H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyFGCXEPQWNQRAHB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.24
Rot. Bonds6

About ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate

ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate (PubChem CID 23283705) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate
PubChem CID23283705
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Nameethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1c2ccc(OC)cc2C(CCNC(C)=O)C1C(C)=O
InChIInChI=1S/C18H24N2O5/c1-5-25-18(23)20-16-7-6-13(24-4)10-15(16)14(17(20)11(2)21)8-9-19-12(3)22/h6-7,10,14,17H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyFGCXEPQWNQRAHB-UHFFFAOYSA-N
XLogP2.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate (CID 23283705) is ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate is CCOC(=O)N1c2ccc(OC)cc2C(CCNC(C)=O)C1C(C)=O.
What is the InChIKey of ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate?
The InChIKey is FGCXEPQWNQRAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-5-25-18(23)20-16-7-6-13(24-4)10-15(16)14(17(20)11(2)21)8-9-19-12(3)22/h6-7,10,14,17H,5,8-9H2,1-4H3,(H,19,22).
What are the key properties of ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate?
ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-acetamidoethyl)-2-acetyl-5-methoxy-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 23283705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).