(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate

C19H19NO6 — CID 24772586

IUPAC(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate
SMILESCOC(=O)COC(=O)c1ccc(NC(=O)COCc2ccccc2)cc1
InChIInChI=1S/C19H19NO6/c1-24-18(22)13-26-19(23)15-7-9-16(10-8-15)20-17(21)12-25-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyCIDNNCXDUXBYIR-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.17
Rot. Bonds8

About (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate

(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate (PubChem CID 24772586) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate
PubChem CID24772586
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate
SMILESCOC(=O)COC(=O)c1ccc(NC(=O)COCc2ccccc2)cc1
InChIInChI=1S/C19H19NO6/c1-24-18(22)13-26-19(23)15-7-9-16(10-8-15)20-17(21)12-25-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyCIDNNCXDUXBYIR-UHFFFAOYSA-N
XLogP2.17
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
CID 172688243
CID 172688243
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
(2-anilino-2-oxoethyl) 3-methoxy-4-phenylmethoxybenzoate
CID 7196850
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate (CID 24772586) is (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate is COC(=O)COC(=O)c1ccc(NC(=O)COCc2ccccc2)cc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate?
The InChIKey is CIDNNCXDUXBYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-24-18(22)13-26-19(23)15-7-9-16(10-8-15)20-17(21)12-25-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21).
What are the key properties of (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate?
(2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate has a molecular weight of 357.36 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 4-[(2-phenylmethoxyacetyl)amino]benzoate is sourced from PubChem (CID 24772586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).