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

C13H17NO3 — CID 57155799

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-13(16)17-10-12(15)14(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyFOYJILZBTAYRBM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds5

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

[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate (PubChem CID 57155799) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
PubChem CID57155799
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-13(16)17-10-12(15)14(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKeyFOYJILZBTAYRBM-UHFFFAOYSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2381288
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55313057
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132228
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821249
N-benzyl-N-methylpentanamide
CID 4629611
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate (CID 57155799) is [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate?
The InChIKey is FOYJILZBTAYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-13(16)17-10-12(15)14(2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] propanoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.60, 5 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] propanoate is sourced from PubChem (CID 57155799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).