[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate

C20H23NO4 — CID 55307289

IUPAC[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-21(4-2)19(22)15-25-20(23)17-10-12-18(13-11-17)24-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyKFGDSTFAXCPMBQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.29
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate

[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 55307289) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID55307289
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-21(4-2)19(22)15-25-20(23)17-10-12-18(13-11-17)24-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyKFGDSTFAXCPMBQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 55308373
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
[2-(diethylamino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133527
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628990
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate (CID 55307289) is [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate is CCN(CC)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is KFGDSTFAXCPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-21(4-2)19(22)15-25-20(23)17-10-12-18(13-11-17)24-14-16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 55307289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).