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

C19H19NO5 — CID 17410752

IUPACmethyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1
InChIInChI=1S/C19H19NO5/c1-12(21)13-7-8-17(24-2)15(9-13)11-18(22)20-16-6-4-5-14(10-16)19(23)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyKNPZGQZDEOJEAL-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.87
Rot. Bonds6

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

methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate (PubChem CID 17410752) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
PubChem CID17410752
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1
InChIInChI=1S/C19H19NO5/c1-12(21)13-7-8-17(24-2)15(9-13)11-18(22)20-16-6-4-5-14(10-16)19(23)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyKNPZGQZDEOJEAL-UHFFFAOYSA-N
XLogP2.87
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
CID 110766971
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768011
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide
CID 95982076
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
methyl 3-[[2-[(2,6-dimethoxybenzoyl)amino]acetyl]amino]benzoate
CID 112999873
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate (CID 17410752) is methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)c1.
What is the InChIKey of methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate?
The InChIKey is KNPZGQZDEOJEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12(21)13-7-8-17(24-2)15(9-13)11-18(22)20-16-6-4-5-14(10-16)19(23)25-3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate?
methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 17410752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).