[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate

C19H17NO5 — CID 135259617

IUPAC[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate
SMILESCOc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(C)=O
InChIInChI=1S/C19H17NO5/c1-12(21)24-18-10-13(8-9-17(18)23-3)20(2)15-11-19(22)25-16-7-5-4-6-14(15)16/h4-11H,1-3H3
InChIKeyGSZFONFGWGEYFH-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.49
Rot. Bonds4

About [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate (PubChem CID 135259617) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate
PubChem CID135259617
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate
SMILESCOc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(C)=O
InChIInChI=1S/C19H17NO5/c1-12(21)24-18-10-13(8-9-17(18)23-3)20(2)15-11-19(22)25-16-7-5-4-6-14(15)16/h4-11H,1-3H3
InChIKeyGSZFONFGWGEYFH-UHFFFAOYSA-N
XLogP3.49
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate?
The IUPAC name of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate (CID 135259617) is [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate.
What is the SMILES notation for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate?
The canonical SMILES for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate is COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(C)=O.
What is the InChIKey of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate?
The InChIKey is GSZFONFGWGEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12(21)24-18-10-13(8-9-17(18)23-3)20(2)15-11-19(22)25-16-7-5-4-6-14(15)16/h4-11H,1-3H3.
What are the key properties of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate?
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate has a molecular weight of 339.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] acetate is sourced from PubChem (CID 135259617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).