[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate

C19H18N2O4 — CID 7432850

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O4/c1-21(12-16-5-3-4-6-17(16)24-2)18(22)13-25-19(23)15-9-7-14(11-20)8-10-15/h3-10H,12-13H2,1-2H3
InChIKeyVFECTNXYQGXBKE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.38
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate (PubChem CID 7432850) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
PubChem CID7432850
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O4/c1-21(12-16-5-3-4-6-17(16)24-2)18(22)13-25-19(23)15-9-7-14(11-20)8-10-15/h3-10H,12-13H2,1-2H3
InChIKeyVFECTNXYQGXBKE-UHFFFAOYSA-N
XLogP2.38
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 7433764
[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 9201909
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 8018342
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
3-cyano-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94685610
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648687
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7664239
methyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethoxy]-4-methylbenzoate
CID 55560836
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55358100

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate (CID 7432850) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate is COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(C#N)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate?
The InChIKey is VFECTNXYQGXBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21(12-16-5-3-4-6-17(16)24-2)18(22)13-25-19(23)15-9-7-14(11-20)8-10-15/h3-10H,12-13H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate has a molecular weight of 338.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate is sourced from PubChem (CID 7432850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).