methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate

C17H17NO4 — CID 893878

IUPACmethyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H17NO4/c1-12-5-3-6-13(9-12)17(20)18-14-7-4-8-15(10-14)22-11-16(19)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyPZIIUZCNPXQDBP-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.80
Rot. Bonds5

About methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate

methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate (PubChem CID 893878) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate
PubChem CID893878
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate
SMILESCOC(=O)COc1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H17NO4/c1-12-5-3-6-13(9-12)17(20)18-14-7-4-8-15(10-14)22-11-16(19)21-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyPZIIUZCNPXQDBP-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate (CID 893878) is methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate is COC(=O)COc1cccc(NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate?
The InChIKey is PZIIUZCNPXQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-5-3-6-13(9-12)17(20)18-14-7-4-8-15(10-14)22-11-16(19)21-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate?
methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate has a molecular weight of 299.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(3-methylbenzoyl)amino]phenoxy]acetate is sourced from PubChem (CID 893878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).