(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate

C21H23NO6 — CID 7147638

IUPAC(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
SMILESCCOc1ccccc1OCCCC(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C21H23NO6/c1-2-26-17-11-6-7-12-18(17)27-14-8-13-20(24)28-15-19(23)22-21(25)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,23,25)
InChIKeyMTRXXURPMSDLSC-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.74
Rot. Bonds10

About (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate

(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate (PubChem CID 7147638) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
PubChem CID7147638
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
SMILESCCOc1ccccc1OCCCC(=O)OCC(=O)NC(=O)c1ccccc1
InChIInChI=1S/C21H23NO6/c1-2-26-17-11-6-7-12-18(17)27-14-8-13-20(24)28-15-19(23)22-21(25)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,23,25)
InChIKeyMTRXXURPMSDLSC-UHFFFAOYSA-N
XLogP2.74
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856622
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-(2-ethoxyphenoxy)butanoate
CID 42965974
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 7222142
(2-benzamido-2-oxoethyl) 4-butoxy-3-methoxybenzoate
CID 42969317
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
(2-benzamido-2-oxoethyl) (E)-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7753360

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate (CID 7147638) is (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate is CCOc1ccccc1OCCCC(=O)OCC(=O)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate?
The InChIKey is MTRXXURPMSDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-2-26-17-11-6-7-12-18(17)27-14-8-13-20(24)28-15-19(23)22-21(25)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,23,25).
What are the key properties of (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate?
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate has a molecular weight of 385.42 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate is sourced from PubChem (CID 7147638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).