[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate

C23H25NO4 — CID 55317905

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESC=CCN(CC=C)C(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H25NO4/c1-3-14-24(15-4-2)22(25)17-28-23(26)18-27-21-13-9-8-12-20(21)16-19-10-6-5-7-11-19/h3-13H,1-2,14-18H2
InChIKeyDEUGYTSXRYGDCJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.40
Rot. Bonds11

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate (PubChem CID 55317905) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
PubChem CID55317905
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESC=CCN(CC=C)C(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C23H25NO4/c1-3-14-24(15-4-2)22(25)17-28-23(26)18-27-21-13-9-8-12-20(21)16-19-10-6-5-7-11-19/h3-13H,1-2,14-18H2
InChIKeyDEUGYTSXRYGDCJ-UHFFFAOYSA-N
XLogP3.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-benzylphenoxy)acetate
CID 43237517
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329399
2-[[2-(2-benzylphenoxy)acetyl]-methylamino]acetamide
CID 56813072
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329386
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 7856125
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329396
N-(2-hydroxyethyl)-2-(2-methylphenoxy)-N-prop-2-enylacetamide
CID 113340576
5-[2-[2-(2-benzylphenoxy)acetyl]hydrazinyl]-N,N-diethyl-5-oxopentanamide
CID 56520721

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate (CID 55317905) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate is C=CCN(CC=C)C(=O)COC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The InChIKey is DEUGYTSXRYGDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-14-24(15-4-2)22(25)17-28-23(26)18-27-21-13-9-8-12-20(21)16-19-10-6-5-7-11-19/h3-13H,1-2,14-18H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate has a molecular weight of 379.46 g/mol, XLogP of 3.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate is sourced from PubChem (CID 55317905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).