[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate

C22H23NO5 — CID 4287709

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H23NO5/c1-15-8-10-16(11-9-15)21(25)18-6-2-3-7-19(18)22(26)28-14-20(24)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,24)
InChIKeyOOKFHUKSIOEQNQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.68
Rot. Bonds7

About [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate

[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 4287709) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID4287709
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C22H23NO5/c1-15-8-10-16(11-9-15)21(25)18-6-2-3-7-19(18)22(26)28-14-20(24)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,24)
InChIKeyOOKFHUKSIOEQNQ-UHFFFAOYSA-N
XLogP2.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Oxo-1,2-diphenylethyl (cyclohexanecarbonyl)glycinate
CID 44143092
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-(4-methylbenzoyl)benzoate
CID 2387359
[2-(Cycloheptylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2431635
[2-(Cyclopentylamino)-2-oxoethyl] 4-ethylbenzoate
CID 2433158
[(2-Phenylethyl)carbamoyl]methyl 3,4-dimethylbenzoate
CID 2715809
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate
CID 4073358
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,4-dimethylbenzoate
CID 4121931
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
Acetic acid cyclohexylcarbamoyl-p-tolyl-methyl ester
CID 651616
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 2099293
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylbenzoyl)benzoate
CID 4017767

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate (CID 4287709) is [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is OOKFHUKSIOEQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-15-8-10-16(11-9-15)21(25)18-6-2-3-7-19(18)22(26)28-14-20(24)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate?
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 381.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 4287709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).