[2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate

C14H17NO4 — CID 2086144

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C14H17NO4/c1-9-3-6-12(18-2)11(7-9)15-13(16)8-19-14(17)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,15,16)
InChIKeyNLKXGVDLHVRORE-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.90
Rot. Bonds5

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2086144) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2086144
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C14H17NO4/c1-9-3-6-12(18-2)11(7-9)15-13(16)8-19-14(17)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,15,16)
InChIKeyNLKXGVDLHVRORE-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2086144) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate is COc1ccc(C)cc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is NLKXGVDLHVRORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-3-6-12(18-2)11(7-9)15-13(16)8-19-14(17)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,15,16).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2086144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).