[2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate

C14H17NO3 — CID 2511118

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C14H17NO3/c1-9-4-3-5-10(2)13(9)15-12(16)8-18-14(17)11-6-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,16)
InChIKeyBEXROOFGTVBIRG-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.20
Rot. Bonds4

About [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2511118) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2511118
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1cccc(C)c1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C14H17NO3/c1-9-4-3-5-10(2)13(9)15-12(16)8-18-14(17)11-6-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,16)
InChIKeyBEXROOFGTVBIRG-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2511118) is [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate is Cc1cccc(C)c1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is BEXROOFGTVBIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-4-3-5-10(2)13(9)15-12(16)8-18-14(17)11-6-7-11/h3-5,11H,6-8H2,1-2H3,(H,15,16).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 247.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2511118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).