methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate

C17H17NO4 — CID 836161

IUPACmethyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C17H17NO4/c1-12-7-9-13(10-8-12)22-11-16(19)18-15-6-4-3-5-14(15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyOTPFACOCJBENBU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.80
Rot. Bonds5

About methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate

methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate (PubChem CID 836161) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
PubChem CID836161
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C17H17NO4/c1-12-7-9-13(10-8-12)22-11-16(19)18-15-6-4-3-5-14(15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyOTPFACOCJBENBU-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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Related Compounds

methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
methyl 2-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate
CID 1344218
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
methyl 2-[[2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]benzoate
CID 17247430
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
2-[[2-(4-methylphenoxy)acetyl]amino]benzenethiolate
CID 135820587
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate (CID 836161) is methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1.
What is the InChIKey of methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
The InChIKey is OTPFACOCJBENBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-7-9-13(10-8-12)22-11-16(19)18-15-6-4-3-5-14(15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate?
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate 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-[[2-(4-methylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 836161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).