[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate

C24H23NO3 — CID 2519942

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO3/c1-17-13-14-18(2)21(15-17)24(27)28-16-22(26)25-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,25,26)
InChIKeyCOCUPGZQPPABLX-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.37
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate

[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2519942) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2519942
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO3/c1-17-13-14-18(2)21(15-17)24(27)28-16-22(26)25-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,25,26)
InChIKeyCOCUPGZQPPABLX-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519928
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519664
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444568
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747579
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 42968395
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229107
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519687
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-hydroxy-4-methylbenzoate
CID 2611794
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818

Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate (CID 2519942) is [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is COCUPGZQPPABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-17-13-14-18(2)21(15-17)24(27)28-16-22(26)25-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,23H,16H2,1-2H3,(H,25,26).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate?
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 373.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2519942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).