methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate

C24H22N2O5 — CID 2356513

IUPACmethyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(N(C)C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-26(23(28)17-6-4-3-5-7-17)20-12-14-21(15-13-20)31-16-22(27)25-19-10-8-18(9-11-19)24(29)30-2/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyHXIKIJJQEFTWEO-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.77
Rot. Bonds7

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

methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate (PubChem CID 2356513) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
PubChem CID2356513
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Namemethyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccc(N(C)C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O5/c1-26(23(28)17-6-4-3-5-7-17)20-12-14-21(15-13-20)31-16-22(27)25-19-10-8-18(9-11-19)24(29)30-2/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyHXIKIJJQEFTWEO-UHFFFAOYSA-N
XLogP3.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230196
4-[[2-(4-ethylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230188
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
N,4-dimethyl-N-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 23905666
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-(diethylamino)ethyl 4-[[2-[4-[methyl-(4-methylbenzoyl)amino]phenoxy]acetyl]amino]benzoate
CID 4573768
2-[4-[benzoyl(methyl)amino]phenoxy]acetate
CID 2360632
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
methyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 692113
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate (CID 2356513) is methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccc(N(C)C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate?
The InChIKey is HXIKIJJQEFTWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-26(23(28)17-6-4-3-5-7-17)20-12-14-21(15-13-20)31-16-22(27)25-19-10-8-18(9-11-19)24(29)30-2/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate?
methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate has a molecular weight of 418.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[4-[benzoyl(methyl)amino]phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 2356513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).