[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate

C14H17NO6 — CID 7841440

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
SMILESCCOC(=O)NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C14H17NO6/c1-2-19-14(18)15-12(16)10-21-13(17)8-9-20-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16,18)
InChIKeyBHUFJENMKUMPOM-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.27
Rot. Bonds7

About [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 7841440) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
PubChem CID7841440
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
SMILESCCOC(=O)NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C14H17NO6/c1-2-19-14(18)15-12(16)10-21-13(17)8-9-20-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16,18)
InChIKeyBHUFJENMKUMPOM-UHFFFAOYSA-N
XLogP1.27
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558
methyl N-(3-phenoxypropanoyl)carbamate
CID 15317639
propyl 3-phenoxypropanoate
CID 43389568
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate (CID 7841440) is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate is CCOC(=O)NC(=O)COC(=O)CCOc1ccccc1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is BHUFJENMKUMPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-2-19-14(18)15-12(16)10-21-13(17)8-9-20-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,15,16,18).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 295.29 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate is sourced from PubChem (CID 7841440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).