methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate

C20H22FNO4 — CID 134015771

IUPACmethyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22FNO4/c1-25-17-10-6-15(7-11-17)18(13-20(24)26-2)22-19(23)12-5-14-3-8-16(21)9-4-14/h3-4,6-11,18H,5,12-13H2,1-2H3,(H,22,23)
InChIKeyQAPBPWQVAUNTPR-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.19
Rot. Bonds8

About methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate

methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate (PubChem CID 134015771) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
PubChem CID134015771
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Namemethyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)CCc1ccc(F)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22FNO4/c1-25-17-10-6-15(7-11-17)18(13-20(24)26-2)22-19(23)12-5-14-3-8-16(21)9-4-14/h3-4,6-11,18H,5,12-13H2,1-2H3,(H,22,23)
InChIKeyQAPBPWQVAUNTPR-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
CID 51256852
methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
CID 134015779
3-(4-fluorophenyl)-3-[4-(4-methoxyphenoxy)butanoylamino]propanoic acid
CID 45432084
3-[3-(4-methoxyphenyl)propanoylamino]-3-(4-nitrophenyl)propanoic acid
CID 67673795
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
3-(3-fluorophenyl)-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 43035596
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 51110901
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate (CID 134015771) is methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate is COC(=O)CC(NC(=O)CCc1ccc(F)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is QAPBPWQVAUNTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-25-17-10-6-15(7-11-17)18(13-20(24)26-2)22-19(23)12-5-14-3-8-16(21)9-4-14/h3-4,6-11,18H,5,12-13H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate?
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 359.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 134015771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).