ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride

C19H22ClNO4 — CID 44523143

IUPACethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNCC(=O)c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-2-23-19(22)13-20-12-18(21)16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15;/h3-11,20H,2,12-14H2,1H3;1H
InChIKeySLFOOCXVGPNFSO-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.02
Rot. Bonds9

About ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride

ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride (PubChem CID 44523143) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride
PubChem CID44523143
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Nameethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride
SMILESCCOC(=O)CNCC(=O)c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-2-23-19(22)13-20-12-18(21)16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15;/h3-11,20H,2,12-14H2,1H3;1H
InChIKeySLFOOCXVGPNFSO-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride (CID 44523143) is ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride is CCOC(=O)CNCC(=O)c1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride?
The InChIKey is SLFOOCXVGPNFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.ClH/c1-2-23-19(22)13-20-12-18(21)16-8-10-17(11-9-16)24-14-15-6-4-3-5-7-15;/h3-11,20H,2,12-14H2,1H3;1H.
What are the key properties of ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride?
ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]amino]acetate;hydrochloride is sourced from PubChem (CID 44523143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).