[2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate

C13H17NO4 — CID 2905306

IUPAC[2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate
SMILESCOCC(C)NC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C13H17NO4/c1-9(8-17-3)14-13(16)11-6-4-5-7-12(11)18-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyJIOLBGQKAQWPLK-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.38
Rot. Bonds5

About [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate

[2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate (PubChem CID 2905306) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate
PubChem CID2905306
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate
SMILESCOCC(C)NC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C13H17NO4/c1-9(8-17-3)14-13(16)11-6-4-5-7-12(11)18-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyJIOLBGQKAQWPLK-UHFFFAOYSA-N
XLogP1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate?
The IUPAC name of [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate (CID 2905306) is [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate is COCC(C)NC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate?
The InChIKey is JIOLBGQKAQWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(8-17-3)14-13(16)11-6-4-5-7-12(11)18-10(2)15/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate?
[2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate has a molecular weight of 251.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 2905306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).