(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C22H21NO5 — CID 43038915

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESNC(=O)C(OC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccc1
InChIInChI=1S/C22H21NO5/c23-22(25)21(14-6-2-1-3-7-14)28-20(24)13-26-15-10-11-19-17(12-15)16-8-4-5-9-18(16)27-19/h1-3,6-7,10-12,21H,4-5,8-9,13H2,(H2,23,25)
InChIKeyAATDSDCGUIAORW-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.46
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 43038915) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID43038915
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESNC(=O)C(OC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccc1
InChIInChI=1S/C22H21NO5/c23-22(25)21(14-6-2-1-3-7-14)28-20(24)13-26-15-10-11-19-17(12-15)16-8-4-5-9-18(16)27-19/h1-3,6-7,10-12,21H,4-5,8-9,13H2,(H2,23,25)
InChIKeyAATDSDCGUIAORW-UHFFFAOYSA-N
XLogP3.46
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 16592345
1-(4-fluorophenyl)ethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18209760
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
6,7,8,9-tetrahydrodibenzofuran-2-yl 3-(2-amino-2-oxoethoxy)benzoate
CID 35738639
pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 71944710
(4-cyanophenyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8765893
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 55524229
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
CID 16595671
methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
CID 8868175
[4-(2-methoxyethyl)phenyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8867276

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 43038915) is (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is NC(=O)C(OC(=O)COc1ccc2oc3c(c2c1)CCCC3)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is AATDSDCGUIAORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c23-22(25)21(14-6-2-1-3-7-14)28-20(24)13-26-15-10-11-19-17(12-15)16-8-4-5-9-18(16)27-19/h1-3,6-7,10-12,21H,4-5,8-9,13H2,(H2,23,25).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 379.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 43038915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).