propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate

C20H21NO6 — CID 7965181

IUPACpropan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H21NO6/c1-13(2)27-20(24)15-4-8-16(9-5-15)21-18(22)12-26-17-10-6-14(7-11-17)19(23)25-3/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyJMIQOGXCCBTPAZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.06
Rot. Bonds7

About propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate

propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate (PubChem CID 7965181) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
PubChem CID7965181
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namepropan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1
InChIInChI=1S/C20H21NO6/c1-13(2)27-20(24)15-4-8-16(9-5-15)21-18(22)12-26-17-10-6-14(7-11-17)19(23)25-3/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyJMIQOGXCCBTPAZ-UHFFFAOYSA-N
XLogP3.06
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
propan-2-yl 4-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172386
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
propan-2-yl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 2185773
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethoxy]acetic acid
CID 60662033
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
propan-2-yl 4-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108807279

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate (CID 7965181) is propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate is COC(=O)c1ccc(OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate?
The InChIKey is JMIQOGXCCBTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-13(2)27-20(24)15-4-8-16(9-5-15)21-18(22)12-26-17-10-6-14(7-11-17)19(23)25-3/h4-11,13H,12H2,1-3H3,(H,21,22).
What are the key properties of propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate has a molecular weight of 371.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate is sourced from PubChem (CID 7965181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).