[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

C23H21NO5 — CID 2644716

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-28-21-5-3-2-4-19(21)14-24-22(26)15-29-23(27)18-8-6-16(7-9-18)17-10-12-20(25)13-11-17/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyDREQYUZFYSSREY-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.54
Rot. Bonds7

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 2644716) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID2644716
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21NO5/c1-28-21-5-3-2-4-19(21)14-24-22(26)15-29-23(27)18-8-6-16(7-9-18)17-10-12-20(25)13-11-17/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyDREQYUZFYSSREY-UHFFFAOYSA-N
XLogP3.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536203
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 55404534
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2665566
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2584348
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2116021
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2584776
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-formylbenzoate
CID 71823659
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 2624849

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate (CID 2644716) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is COc1ccccc1CNC(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is DREQYUZFYSSREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-28-21-5-3-2-4-19(21)14-24-22(26)15-29-23(27)18-8-6-16(7-9-18)17-10-12-20(25)13-11-17/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 391.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 2644716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).