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

C17H17NO4 — CID 7264093

IUPAC[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c1-18-16(19)12-22-17(20)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyIZDMGFKSTGWXJT-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.17
Rot. Bonds6

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

[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 7264093) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID7264093
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c1-18-16(19)12-22-17(20)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeyIZDMGFKSTGWXJT-UHFFFAOYSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
[2-(methylamino)-2-oxoethyl] benzoate
CID 14033068
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate
CID 2607556
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7149521
N-methyl-4-phenylmethoxybenzamide
CID 2996745
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-cyanobenzoate
CID 7717087
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate (CID 7264093) is [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate is CNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is IZDMGFKSTGWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-18-16(19)12-22-17(20)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 299.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 7264093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).