[4-methoxy-N-(2-oxopropoxy)anilino] acetate

C12H15NO5 — CID 163606382

IUPAC[4-methoxy-N-(2-oxopropoxy)anilino] acetate
SMILESCOc1ccc(N(OCC(C)=O)OC(C)=O)cc1
InChIInChI=1S/C12H15NO5/c1-9(14)8-17-13(18-10(2)15)11-4-6-12(16-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyHCDUGBTTWUCHGH-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.50
Rot. Bonds6

About [4-methoxy-N-(2-oxopropoxy)anilino] acetate

[4-methoxy-N-(2-oxopropoxy)anilino] acetate (PubChem CID 163606382) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is [4-methoxy-N-(2-oxopropoxy)anilino] acetate.

Molecular Properties

Compound Name[4-methoxy-N-(2-oxopropoxy)anilino] acetate
PubChem CID163606382
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name[4-methoxy-N-(2-oxopropoxy)anilino] acetate
SMILESCOc1ccc(N(OCC(C)=O)OC(C)=O)cc1
InChIInChI=1S/C12H15NO5/c1-9(14)8-17-13(18-10(2)15)11-4-6-12(16-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyHCDUGBTTWUCHGH-UHFFFAOYSA-N
XLogP1.50
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-N-(2-oxopropoxy)anilino] acetate?
The IUPAC name of [4-methoxy-N-(2-oxopropoxy)anilino] acetate (CID 163606382) is [4-methoxy-N-(2-oxopropoxy)anilino] acetate.
What is the SMILES notation for [4-methoxy-N-(2-oxopropoxy)anilino] acetate?
The canonical SMILES for [4-methoxy-N-(2-oxopropoxy)anilino] acetate is COc1ccc(N(OCC(C)=O)OC(C)=O)cc1.
What is the InChIKey of [4-methoxy-N-(2-oxopropoxy)anilino] acetate?
The InChIKey is HCDUGBTTWUCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-9(14)8-17-13(18-10(2)15)11-4-6-12(16-3)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of [4-methoxy-N-(2-oxopropoxy)anilino] acetate?
[4-methoxy-N-(2-oxopropoxy)anilino] acetate has a molecular weight of 253.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-N-(2-oxopropoxy)anilino] acetate is sourced from PubChem (CID 163606382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).