(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate

C20H21NO6 — CID 35836444

IUPAC(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO6/c1-2-25-16-8-10-17(11-9-16)26-13-12-19(23)27-14-18(22)21-20(24)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,22,24)
InChIKeyQWDRGENPJMRNNT-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.35
Rot. Bonds9

About (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate

(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate (PubChem CID 35836444) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
PubChem CID35836444
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21NO6/c1-2-25-16-8-10-17(11-9-16)26-13-12-19(23)27-14-18(22)21-20(24)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,22,24)
InChIKeyQWDRGENPJMRNNT-UHFFFAOYSA-N
XLogP2.35
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 7222142
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55525266
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16571065
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535303

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate (CID 35836444) is (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is QWDRGENPJMRNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-2-25-16-8-10-17(11-9-16)26-13-12-19(23)27-14-18(22)21-20(24)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,22,24).
What are the key properties of (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate?
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 371.39 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 35836444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).