methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate

C18H19NO5 — CID 110766971

IUPACmethyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H19NO5/c1-22-15-7-8-16(23-2)13(10-15)11-17(20)19-14-6-4-5-12(9-14)18(21)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyDXVDYAYYZWKGLW-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.67
Rot. Bonds6

About methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate

methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate (PubChem CID 110766971) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
PubChem CID110766971
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H19NO5/c1-22-15-7-8-16(23-2)13(10-15)11-17(20)19-14-6-4-5-12(9-14)18(21)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyDXVDYAYYZWKGLW-UHFFFAOYSA-N
XLogP2.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
CID 17410752
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 78890966
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832
N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
methyl 3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212219
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate (CID 110766971) is methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2cc(OC)ccc2OC)c1.
What is the InChIKey of methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate?
The InChIKey is DXVDYAYYZWKGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-15-7-8-16(23-2)13(10-15)11-17(20)19-14-6-4-5-12(9-14)18(21)24-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate?
methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 110766971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).