methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate

C17H24ClNO4 — CID 51114947

IUPACmethyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)C(C)OCC(C)C)c1ccccc1Cl
InChIInChI=1S/C17H24ClNO4/c1-11(2)10-23-12(3)17(21)19-15(9-16(20)22-4)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)
InChIKeyAGLDBFMJPFCYJU-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.12
Rot. Bonds8

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

methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate (PubChem CID 51114947) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
PubChem CID51114947
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)C(C)OCC(C)C)c1ccccc1Cl
InChIInChI=1S/C17H24ClNO4/c1-11(2)10-23-12(3)17(21)19-15(9-16(20)22-4)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21)
InChIKeyAGLDBFMJPFCYJU-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 38590811
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
propan-2-yl (3R)-3-(2-chlorophenyl)-3-(3-methylbutanoylamino)propanoate
CID 51926264
methyl 3-(2-chlorophenyl)-3-(5-methoxypentanoylamino)propanoate
CID 86871718
methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
CID 134006769
methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate
CID 55925524
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
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methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
CID 62978673

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate (CID 51114947) is methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate is COC(=O)CC(NC(=O)C(C)OCC(C)C)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate?
The InChIKey is AGLDBFMJPFCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-11(2)10-23-12(3)17(21)19-15(9-16(20)22-4)13-7-5-6-8-14(13)18/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,21).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate?
methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate has a molecular weight of 341.84 g/mol, XLogP of 3.12, 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-[2-(2-methylpropoxy)propanoylamino]propanoate is sourced from PubChem (CID 51114947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).