methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate

C20H22ClNO4 — CID 51256852

IUPACmethyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)CCc1ccc(OC)cc1)c1ccccc1Cl
InChIInChI=1S/C20H22ClNO4/c1-25-15-10-7-14(8-11-15)9-12-19(23)22-18(13-20(24)26-2)16-5-3-4-6-17(16)21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,22,23)
InChIKeyRENPWGNLFXRISM-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.70
Rot. Bonds8

About methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate

methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate (PubChem CID 51256852) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
PubChem CID51256852
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)CCc1ccc(OC)cc1)c1ccccc1Cl
InChIInChI=1S/C20H22ClNO4/c1-25-15-10-7-14(8-11-15)9-12-19(23)22-18(13-20(24)26-2)16-5-3-4-6-17(16)21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,22,23)
InChIKeyRENPWGNLFXRISM-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-chlorophenyl)-3-(5-methoxypentanoylamino)propanoate
CID 86871718
methyl 3-(2-chlorophenyl)-3-[3-(2,4-dimethylphenyl)propanoylamino]propanoate
CID 55474500
methyl 3-[3-(4-fluorophenyl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 134015771
ethyl (3S)-3-(2-chlorophenyl)-3-(4-phenylbutanoylamino)propanoate
CID 7310535
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
methyl 3-(2-chlorophenyl)-3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]propanoate
CID 55430137
ethyl (3S)-3-(2-chlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
CID 7310519
methyl 3-(2-chlorophenyl)-3-[3-(thiophene-2-carbonylamino)propanoylamino]propanoate
CID 51256884
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 58143336
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
methyl 3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanoate
CID 55440619

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate (CID 51256852) is methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate is COC(=O)CC(NC(=O)CCc1ccc(OC)cc1)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate?
The InChIKey is RENPWGNLFXRISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-25-15-10-7-14(8-11-15)9-12-19(23)22-18(13-20(24)26-2)16-5-3-4-6-17(16)21/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate?
methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate has a molecular weight of 375.85 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate is sourced from PubChem (CID 51256852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).