[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate

C18H19NO3 — CID 55319362

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(13-16-10-6-3-7-11-16)17(20)14-22-18(21)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyYGQHLLSFNPAXOY-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.43
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate (PubChem CID 55319362) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
PubChem CID55319362
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(13-16-10-6-3-7-11-16)17(20)14-22-18(21)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKeyYGQHLLSFNPAXOY-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
ethyl 2-phenylacetate
CID 7590
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 55397130
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2381288
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate (CID 55319362) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate is CN(Cc1ccccc1)C(=O)COC(=O)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate?
The InChIKey is YGQHLLSFNPAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(13-16-10-6-3-7-11-16)17(20)14-22-18(21)12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate has a molecular weight of 297.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 55319362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).