[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

C20H20N2O5 — CID 7984078

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C20H20N2O5/c1-14(27-17-9-7-15(11-21)8-10-17)20(24)26-13-19(23)22-12-16-5-3-4-6-18(16)25-2/h3-10,14H,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyOXCXNPJDLRYYRH-CQSZACIVSA-N
MW368.39 g/mol
LogP2.19
Rot. Bonds8

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (PubChem CID 7984078) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
PubChem CID7984078
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
SMILESCOc1ccccc1CNC(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1
InChIInChI=1S/C20H20N2O5/c1-14(27-17-9-7-15(11-21)8-10-17)20(24)26-13-19(23)22-12-16-5-3-4-6-18(16)25-2/h3-10,14H,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyOXCXNPJDLRYYRH-CQSZACIVSA-N
XLogP2.19
TPSA97.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate with MolForge

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Related Compounds

2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856174
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984965
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984215
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983854
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7978141
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984105
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 55517677

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate (CID 7984078) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is COc1ccccc1CNC(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
The InChIKey is OXCXNPJDLRYYRH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-14(27-17-9-7-15(11-21)8-10-17)20(24)26-13-19(23)22-12-16-5-3-4-6-18(16)25-2/h3-10,14H,12-13H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate has a molecular weight of 368.39 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7984078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).