2-[4-[benzoyl(methyl)amino]phenoxy]acetate

C16H14NO4- — CID 2360632

IUPAC2-[4-[benzoyl(methyl)amino]phenoxy]acetate
SMILESCN(C(=O)c1ccccc1)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C16H15NO4/c1-17(16(20)12-5-3-2-4-6-12)13-7-9-14(10-8-13)21-11-15(18)19/h2-10H,11H2,1H3,(H,18,19)/p-1
InChIKeyBXQPXKHBDUSPTQ-UHFFFAOYSA-M
MW284.29 g/mol
LogP1.09
Rot. Bonds5

About 2-[4-[benzoyl(methyl)amino]phenoxy]acetate

2-[4-[benzoyl(methyl)amino]phenoxy]acetate (PubChem CID 2360632) has the molecular formula C16H14NO4- and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[4-[benzoyl(methyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[benzoyl(methyl)amino]phenoxy]acetate
PubChem CID2360632
Molecular FormulaC16H14NO4-
Molecular Weight284.29 g/mol
Exact Mass284.09
IUPAC Name2-[4-[benzoyl(methyl)amino]phenoxy]acetate
SMILESCN(C(=O)c1ccccc1)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C16H15NO4/c1-17(16(20)12-5-3-2-4-6-12)13-7-9-14(10-8-13)21-11-15(18)19/h2-10H,11H2,1H3,(H,18,19)/p-1
InChIKeyBXQPXKHBDUSPTQ-UHFFFAOYSA-M
XLogP1.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
CID 2356513
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230196
4-[4-[4-[methyl-(4-methylbenzoyl)amino]phenoxy]-3-oxobutyl]benzoate
CID 165007461
4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
4-[(4-ethoxyanilino)methyl]-N-methyl-N-phenylbenzamide
CID 122195977
CID 173432275
CID 173432275
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 23882818
ethane;N-methyl-N-[3-(N-methylanilino)phenyl]benzamide;N-methyl-3-(N-methylanilino)-N-phenylbenzamide
CID 161374433
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzoyl(methyl)amino]phenoxy]acetate?
The IUPAC name of 2-[4-[benzoyl(methyl)amino]phenoxy]acetate (CID 2360632) is 2-[4-[benzoyl(methyl)amino]phenoxy]acetate.
What is the SMILES notation for 2-[4-[benzoyl(methyl)amino]phenoxy]acetate?
The canonical SMILES for 2-[4-[benzoyl(methyl)amino]phenoxy]acetate is CN(C(=O)c1ccccc1)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[benzoyl(methyl)amino]phenoxy]acetate?
The InChIKey is BXQPXKHBDUSPTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO4/c1-17(16(20)12-5-3-2-4-6-12)13-7-9-14(10-8-13)21-11-15(18)19/h2-10H,11H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-[4-[benzoyl(methyl)amino]phenoxy]acetate?
2-[4-[benzoyl(methyl)amino]phenoxy]acetate has a molecular weight of 284.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzoyl(methyl)amino]phenoxy]acetate is sourced from PubChem (CID 2360632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).