ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate

C18H19NO4 — CID 162365695

IUPACethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)15-9-6-10-16(11-15)19-12-17(20)23-13-14-7-4-3-5-8-14/h3-11,19H,2,12-13H2,1H3
InChIKeyYHEVSRIHKSFWAK-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.02
Rot. Bonds7

About ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate

ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate (PubChem CID 162365695) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
PubChem CID162365695
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)15-9-6-10-16(11-15)19-12-17(20)23-13-14-7-4-3-5-8-14/h3-11,19H,2,12-13H2,1H3
InChIKeyYHEVSRIHKSFWAK-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 3-(2,2-dimethylpropylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate?
The IUPAC name of ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate (CID 162365695) is ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate is CCOC(=O)c1cccc(NCC(=O)OCc2ccccc2)c1.
What is the InChIKey of ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate?
The InChIKey is YHEVSRIHKSFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-22-18(21)15-9-6-10-16(11-15)19-12-17(20)23-13-14-7-4-3-5-8-14/h3-11,19H,2,12-13H2,1H3.
What are the key properties of ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate?
ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate is sourced from PubChem (CID 162365695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).