[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate

C21H23NO4 — CID 7444568

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)NC(C)C)c1
InChIInChI=1S/C21H23NO4/c1-13(2)22-19(23)12-26-21(25)17-8-6-5-7-16(17)20(24)18-11-14(3)9-10-15(18)4/h5-11,13H,12H2,1-4H3,(H,22,23)
InChIKeyPQGIKVZVOOLQCJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.22
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate (PubChem CID 7444568) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
PubChem CID7444568
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)NC(C)C)c1
InChIInChI=1S/C21H23NO4/c1-13(2)22-19(23)12-26-21(25)17-8-6-5-7-16(17)20(24)18-11-14(3)9-10-15(18)4/h5-11,13H,12H2,1-4H3,(H,22,23)
InChIKeyPQGIKVZVOOLQCJ-UHFFFAOYSA-N
XLogP3.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 42968395
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 8887058
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519664
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 26919223
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 35794790
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444625
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229107
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 46607391
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256
(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate (CID 7444568) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate is Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)NC(C)C)c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate?
The InChIKey is PQGIKVZVOOLQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)22-19(23)12-26-21(25)17-8-6-5-7-16(17)20(24)18-11-14(3)9-10-15(18)4/h5-11,13H,12H2,1-4H3,(H,22,23).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate is sourced from PubChem (CID 7444568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).