methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate

C18H19NO4 — CID 17360384

IUPACmethyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccccc1OC
InChIInChI=1S/C18H19NO4/c1-22-16-10-6-3-7-13(16)11-12-17(20)19-15-9-5-4-8-14(15)18(21)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyDHUNNXFVBJHJAV-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.05
Rot. Bonds6

About methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate

methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate (PubChem CID 17360384) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
PubChem CID17360384
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCc1ccccc1OC
InChIInChI=1S/C18H19NO4/c1-22-16-10-6-3-7-13(16)11-12-17(20)19-15-9-5-4-8-14(15)18(21)23-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyDHUNNXFVBJHJAV-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
methyl 2-[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333154
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
CID 11450246

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate (CID 17360384) is methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCc1ccccc1OC.
What is the InChIKey of methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate?
The InChIKey is DHUNNXFVBJHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-16-10-6-3-7-13(16)11-12-17(20)19-15-9-5-4-8-14(15)18(21)23-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate?
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate is sourced from PubChem (CID 17360384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).