methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate

C20H22N2O5 — CID 9049177

IUPACmethyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-13-8-14(2)10-17(9-13)27-12-18(23)22-16-6-4-15(5-7-16)20(25)21-11-19(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyOMRXERQKRNSPBO-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.22
Rot. Bonds7

About methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate (PubChem CID 9049177) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
PubChem CID9049177
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-13-8-14(2)10-17(9-13)27-12-18(23)22-16-6-4-15(5-7-16)20(25)21-11-19(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyOMRXERQKRNSPBO-UHFFFAOYSA-N
XLogP2.22
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55314344
methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
CID 34073127
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-(3,5-dimethylphenyl)-2-[4-(hydrazinecarbonyl)phenoxy]acetamide
CID 54793228
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate (CID 9049177) is methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate?
The InChIKey is OMRXERQKRNSPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-8-14(2)10-17(9-13)27-12-18(23)22-16-6-4-15(5-7-16)20(25)21-11-19(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 9049177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).