ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate

C15H21NO4 — CID 122517611

IUPACethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
SMILESCCOC(=O)C(OC(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-4-16(5-2)15(18)20-13(14(17)19-6-3)12-10-8-7-9-11-12/h7-11,13H,4-6H2,1-3H3
InChIKeyLZGQAKYKQIGCEH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.77
Rot. Bonds6

About ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate

ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate (PubChem CID 122517611) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
PubChem CID122517611
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-(diethylcarbamoyloxy)-2-phenylacetate
SMILESCCOC(=O)C(OC(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-4-16(5-2)15(18)20-13(14(17)19-6-3)12-10-8-7-9-11-12/h7-11,13H,4-6H2,1-3H3
InChIKeyLZGQAKYKQIGCEH-UHFFFAOYSA-N
XLogP2.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195
ethyl 2-iodooxy-2-phenylacetate
CID 70900074
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
CID 101353525
ethyl 2-(diethylcarbamoylsulfanyl)-2-phenylacetate
CID 169440158
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
ethyl 2-(4-methylphenoxy)-2-phenylacetate
CID 103601098
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
CID 106676848
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl 2-heptoxy-2-phenylacetate
CID 106676796
ethyl 2-(3,3-dimethylbutoxy)-2-phenylacetate
CID 106676840
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-hydroxy-2-phenylacetate
CID 90673198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate?
The IUPAC name of ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate (CID 122517611) is ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate is CCOC(=O)C(OC(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate?
The InChIKey is LZGQAKYKQIGCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-16(5-2)15(18)20-13(14(17)19-6-3)12-10-8-7-9-11-12/h7-11,13H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate?
ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate has a molecular weight of 279.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylcarbamoyloxy)-2-phenylacetate is sourced from PubChem (CID 122517611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).