ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate

C20H19NO4 — CID 158468620

IUPACethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1=Nc2ccccc2CC(=O)C1
InChIInChI=1S/C20H19NO4/c1-2-24-20(23)13-25-19-10-6-4-8-16(19)18-12-15(22)11-14-7-3-5-9-17(14)21-18/h3-10H,2,11-13H2,1H3
InChIKeyFVJGFCURBKCLMJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate

ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate (PubChem CID 158468620) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate
PubChem CID158468620
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1C1=Nc2ccccc2CC(=O)C1
InChIInChI=1S/C20H19NO4/c1-2-24-20(23)13-25-19-10-6-4-8-16(19)18-12-15(22)11-14-7-3-5-9-17(14)21-18/h3-10H,2,11-13H2,1H3
InChIKeyFVJGFCURBKCLMJ-UHFFFAOYSA-N
XLogP3.26
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate;2-(2-hydroxyphenyl)-3,5-dihydro-1-benzazepin-4-one;methane
CID 161450069
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[4-oxo-5-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 158401279
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 2-[2-[(3R)-2-acetyl-3-(4-ethylphenyl)-3,4-dihydropyrazol-5-yl]phenoxy]acetate
CID 7470947
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl 2-[2-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)phenoxy]acetate
CID 19874452
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
ethyl 2-[(6-cyano-8,9-dihydro-7H-benzo[7]annulen-5-yl)oxy]acetate
CID 16655148
ethyl 2-[2-(1,3-dioxan-2-yl)phenoxy]acetate
CID 137346136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate (CID 158468620) is ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate is CCOC(=O)COc1ccccc1C1=Nc2ccccc2CC(=O)C1.
What is the InChIKey of ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate?
The InChIKey is FVJGFCURBKCLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-24-20(23)13-25-19-10-6-4-8-16(19)18-12-15(22)11-14-7-3-5-9-17(14)21-18/h3-10H,2,11-13H2,1H3.
What are the key properties of ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate?
ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate has a molecular weight of 337.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-oxo-3,5-dihydro-1-benzazepin-2-yl)phenoxy]acetate is sourced from PubChem (CID 158468620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).