methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate

C18H19NO5 — CID 19203887

IUPACmethyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)Oc2cccc(OC)c2)cc1
InChIInChI=1S/C18H19NO5/c1-12(24-16-6-4-5-15(11-16)22-2)17(20)19-14-9-7-13(8-10-14)18(21)23-3/h4-12H,1-3H3,(H,19,20)
InChIKeyGVENRLSWJZTMNI-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds6

About methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate

methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate (PubChem CID 19203887) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
PubChem CID19203887
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(C)Oc2cccc(OC)c2)cc1
InChIInChI=1S/C18H19NO5/c1-12(24-16-6-4-5-15(11-16)22-2)17(20)19-14-9-7-13(8-10-14)18(21)23-3/h4-12H,1-3H3,(H,19,20)
InChIKeyGVENRLSWJZTMNI-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
methyl 4-[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7667506
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
methyl 3-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8639971

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate (CID 19203887) is methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)C(C)Oc2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate?
The InChIKey is GVENRLSWJZTMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(24-16-6-4-5-15(11-16)22-2)17(20)19-14-9-7-13(8-10-14)18(21)23-3/h4-12H,1-3H3,(H,19,20).
What are the key properties of methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate?
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 19203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).