[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C19H26N2O4 — CID 2442737

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H26N2O4/c1-14(2)10-21(11-15(3)4)18(22)12-25-19(23)13-24-17-7-5-16(9-20)6-8-17/h5-8,14-15H,10-13H2,1-4H3
InChIKeyQTDACUDRFXHMOX-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.62
Rot. Bonds9

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 2442737) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID2442737
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C19H26N2O4/c1-14(2)10-21(11-15(3)4)18(22)12-25-19(23)13-24-17-7-5-16(9-20)6-8-17/h5-8,14-15H,10-13H2,1-4H3
InChIKeyQTDACUDRFXHMOX-UHFFFAOYSA-N
XLogP2.62
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 55516240
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
[2-[[(2S)-butan-2-yl]-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7843133
2-(4-cyanophenoxy)-N-(4-methylpentyl)acetamide
CID 32613683
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-cyanophenoxy)ethyl 2-(4-ethylphenoxy)acetate
CID 30046988
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-phenoxyacetamide
CID 60654576
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 2442737) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is CC(C)CN(CC(C)C)C(=O)COC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is QTDACUDRFXHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(2)10-21(11-15(3)4)18(22)12-25-19(23)13-24-17-7-5-16(9-20)6-8-17/h5-8,14-15H,10-13H2,1-4H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 346.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 2442737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).