[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate

C22H21NO5 — CID 9329386

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C22H21NO5/c24-21(23-14-19-10-6-12-26-19)15-28-22(25)16-27-20-11-5-4-9-18(20)13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,23,24)
InChIKeyBQCUSZXSQBGFHD-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.11
Rot. Bonds9

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate (PubChem CID 9329386) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
PubChem CID9329386
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cc1ccccc1)NCc1ccco1
InChIInChI=1S/C22H21NO5/c24-21(23-14-19-10-6-12-26-19)15-28-22(25)16-27-20-11-5-4-9-18(20)13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,23,24)
InChIKeyBQCUSZXSQBGFHD-UHFFFAOYSA-N
XLogP3.11
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 18118989
2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 27142980
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631551
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856156
2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 9081252
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 7856125
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32932137

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate (CID 9329386) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate is O=C(COC(=O)COc1ccccc1Cc1ccccc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
The InChIKey is BQCUSZXSQBGFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c24-21(23-14-19-10-6-12-26-19)15-28-22(25)16-27-20-11-5-4-9-18(20)13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,23,24).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate has a molecular weight of 379.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate is sourced from PubChem (CID 9329386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).