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

C20H19ClN2O4 — CID 51256873

IUPACmethyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)C(C)Oc1ccc(C#N)cc1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN2O4/c1-13(27-15-9-7-14(12-22)8-10-15)20(25)23-18(11-19(24)26-2)16-5-3-4-6-17(16)21/h3-10,13,18H,11H2,1-2H3,(H,23,25)
InChIKeyUONAZWXXUPHMSA-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.40
Rot. Bonds7

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

methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate (PubChem CID 51256873) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate
PubChem CID51256873
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate
SMILESCOC(=O)CC(NC(=O)C(C)Oc1ccc(C#N)cc1)c1ccccc1Cl
InChIInChI=1S/C20H19ClN2O4/c1-13(27-15-9-7-14(12-22)8-10-15)20(25)23-18(11-19(24)26-2)16-5-3-4-6-17(16)21/h3-10,13,18H,11H2,1-2H3,(H,23,25)
InChIKeyUONAZWXXUPHMSA-UHFFFAOYSA-N
XLogP3.40
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-chlorophenyl)-3-[2-(2-methylpropoxy)propanoylamino]propanoate
CID 51114947
methyl 3-(2-chlorophenyl)-3-[(3-cyanobenzoyl)amino]propanoate
CID 51256847
2-(4-cyanophenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
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2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
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2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
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methyl 2-[2-(4-cyanophenoxy)propanoylamino]-3-methylpentanoate
CID 78771684
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-cyanophenoxy)propanamide
CID 7505965
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
CID 51256852

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate (CID 51256873) is methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate is COC(=O)CC(NC(=O)C(C)Oc1ccc(C#N)cc1)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate?
The InChIKey is UONAZWXXUPHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-13(27-15-9-7-14(12-22)8-10-15)20(25)23-18(11-19(24)26-2)16-5-3-4-6-17(16)21/h3-10,13,18H,11H2,1-2H3,(H,23,25).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate?
methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate has a molecular weight of 386.84 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[2-(4-cyanophenoxy)propanoylamino]propanoate is sourced from PubChem (CID 51256873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).