[2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C17H23NO4 — CID 2596037

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C17H23NO4/c1-11(2)14-7-4-12(3)8-15(14)21-10-17(20)22-9-16(19)18-13-5-6-13/h4,7-8,11,13H,5-6,9-10H2,1-3H3,(H,18,19)
InChIKeyDIXJCBABBAOFPH-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.32
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 2596037) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID2596037
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(C(C)C)c(OCC(=O)OCC(=O)NC2CC2)c1
InChIInChI=1S/C17H23NO4/c1-11(2)14-7-4-12(3)8-15(14)21-10-17(20)22-9-16(19)18-13-5-6-13/h4,7-8,11,13H,5-6,9-10H2,1-3H3,(H,18,19)
InChIKeyDIXJCBABBAOFPH-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 2596037) is [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)NC2CC2)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is DIXJCBABBAOFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)14-7-4-12(3)8-15(14)21-10-17(20)22-9-16(19)18-13-5-6-13/h4,7-8,11,13H,5-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 305.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 2596037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).