methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate

C18H20N2O4 — CID 53321010

IUPACmethyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(OC)cn2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(16-9-8-15(23-2)11-19-16)20-17(21)10-13-4-6-14(7-5-13)18(22)24-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyOUAJSGLHSYTATD-GFCCVEGCSA-N
MW328.37 g/mol
LogP2.30
Rot. Bonds6

About methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate

methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate (PubChem CID 53321010) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
PubChem CID53321010
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(OC)cn2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(16-9-8-15(23-2)11-19-16)20-17(21)10-13-4-6-14(7-5-13)18(22)24-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyOUAJSGLHSYTATD-GFCCVEGCSA-N
XLogP2.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate with MolForge

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Related Compounds

2-[4-(3-fluoropyrrolidin-1-yl)phenyl]-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 24765015
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]-2-[2-(trifluoromethoxy)phenoxy]acetamide
CID 67290555
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
2-[4-(3-methylpyrazin-2-yl)phenyl]-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819774
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 24764921
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate?
The IUPAC name of methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate (CID 53321010) is methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate is COC(=O)c1ccc(CC(=O)N[C@H](C)c2ccc(OC)cn2)cc1.
What is the InChIKey of methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate?
The InChIKey is OUAJSGLHSYTATD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(16-9-8-15(23-2)11-19-16)20-17(21)10-13-4-6-14(7-5-13)18(22)24-3/h4-9,11-12H,10H2,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate?
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate is sourced from PubChem (CID 53321010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).