methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate

C18H17NO5 — CID 11450246

IUPACmethyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC(C)=O
InChIInChI=1S/C18H17NO5/c1-12(20)24-16-10-6-3-7-13(16)11-17(21)19-15-9-5-4-8-14(15)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyJVAMESGDKDQJFP-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.58
Rot. Bonds5

About methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate

methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate (PubChem CID 11450246) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
PubChem CID11450246
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namemethyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC(C)=O
InChIInChI=1S/C18H17NO5/c1-12(20)24-16-10-6-3-7-13(16)11-17(21)19-15-9-5-4-8-14(15)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyJVAMESGDKDQJFP-UHFFFAOYSA-N
XLogP2.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
(2-acetamidophenyl)methyl 2-acetyloxybenzoate
CID 20571663
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
N,N-diethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 86835472
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[(3-amino-3-iminopropanoyl)amino]benzoate
CID 99990401
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate (CID 11450246) is methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccccc1OC(C)=O.
What is the InChIKey of methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate?
The InChIKey is JVAMESGDKDQJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-12(20)24-16-10-6-3-7-13(16)11-17(21)19-15-9-5-4-8-14(15)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate?
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate has a molecular weight of 327.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 11450246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).