ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate

C14H16N2O4 — CID 645049

IUPACethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(C)=O
InChIInChI=1S/C14H16N2O4/c1-4-20-14(18)13-12(15-8(2)17)10-7-9(19-3)5-6-11(10)16-13/h5-7,16H,4H2,1-3H3,(H,15,17)
InChIKeyWHWIVFFNHKBNKI-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.31
Rot. Bonds4

About ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate

ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate (PubChem CID 645049) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate
PubChem CID645049
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(C)=O
InChIInChI=1S/C14H16N2O4/c1-4-20-14(18)13-12(15-8(2)17)10-7-9(19-3)5-6-11(10)16-13/h5-7,16H,4H2,1-3H3,(H,15,17)
InChIKeyWHWIVFFNHKBNKI-UHFFFAOYSA-N
XLogP2.31
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate (CID 645049) is ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(C)=O.
What is the InChIKey of ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is WHWIVFFNHKBNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-4-20-14(18)13-12(15-8(2)17)10-7-9(19-3)5-6-11(10)16-13/h5-7,16H,4H2,1-3H3,(H,15,17).
What are the key properties of ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate?
ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetamido-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 645049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).