[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C19H18N2O4 — CID 9141221

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O4/c1-21(12-16-5-3-2-4-6-16)18(22)13-25-19(23)14-24-17-9-7-15(11-20)8-10-17/h2-10H,12-14H2,1H3
InChIKeyFKDWPMOTOCYUSP-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.14
Rot. Bonds7

About [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 9141221) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID9141221
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H18N2O4/c1-21(12-16-5-3-2-4-6-16)18(22)13-25-19(23)14-24-17-9-7-15(11-20)8-10-17/h2-10H,12-14H2,1H3
InChIKeyFKDWPMOTOCYUSP-UHFFFAOYSA-N
XLogP2.14
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 710356
N-benzyl-2-(4-fluorophenoxy)-N-methylethanamine oxalate
CID 2934712
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 3681202
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4384413
2-(Cyclohexylamino)-2-oxoethyl 2-(2-cyanophenoxy)acetate
CID 4858603
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4858604
(4-{(1E)-2-cyano-3-oxo-3-[(1-phenylethyl)amino]prop-1-en-1-yl}phenoxy)acetic acid
CID 5790681
N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide
CID 887048
2-(Benzylamino)-2-oxoethyl phenoxyacetate
CID 2122413
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2358095
N-benzyl-4-(4-ethylphenoxy)-N-methyl-1-butanamine oxalate
CID 2934080
N-benzyl-2-(4-ethoxyphenoxy)-N-methylethanamine oxalate
CID 2935436

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 9141221) is [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is CN(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is FKDWPMOTOCYUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21(12-16-5-3-2-4-6-16)18(22)13-25-19(23)14-24-17-9-7-15(11-20)8-10-17/h2-10H,12-14H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 338.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).