(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C19H19NO4 — CID 16592345

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESNC(=O)C(OC(=O)COc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C19H19NO4/c20-19(22)18(14-5-2-1-3-6-14)24-17(21)12-23-16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,18H,4,7-8,12H2,(H2,20,22)
InChIKeyZVXOJWHBPUWLBG-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.32
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 16592345) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID16592345
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESNC(=O)C(OC(=O)COc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C19H19NO4/c20-19(22)18(14-5-2-1-3-6-14)24-17(21)12-23-16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,18H,4,7-8,12H2,(H2,20,22)
InChIKeyZVXOJWHBPUWLBG-UHFFFAOYSA-N
XLogP2.32
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
CID 16595671
(2-amino-2-oxo-1-phenylethyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 43038915
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
[2-(N-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 2613978
9H-fluoren-9-yl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234964
[(2R)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7224460
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51152064
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 22830575
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801554
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234952
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234951

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 16592345) is (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is NC(=O)C(OC(=O)COc1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is ZVXOJWHBPUWLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c20-19(22)18(14-5-2-1-3-6-14)24-17(21)12-23-16-10-9-13-7-4-8-15(13)11-16/h1-3,5-6,9-11,18H,4,7-8,12H2,(H2,20,22).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
(2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 325.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 16592345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).