[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate

C21H24N2O4 — CID 2662915

IUPAC[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
SMILESCCC[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-3-9-15(2)22-19(24)14-27-21(26)17-12-7-8-13-18(17)23-20(25)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyFUZMQMPWFWQOGV-HNNXBMFYSA-N
MW368.43 g/mol
LogP3.40
Rot. Bonds8

About [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate (PubChem CID 2662915) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
PubChem CID2662915
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
SMILESCCC[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-3-9-15(2)22-19(24)14-27-21(26)17-12-7-8-13-18(17)23-20(25)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,24)(H,23,25)/t15-/m0/s1
InChIKeyFUZMQMPWFWQOGV-HNNXBMFYSA-N
XLogP3.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-benzamidobenzoate
CID 7835723
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
(2-benzamido-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]benzoate
CID 30221163
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate
CID 18073988
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-benzamidobenzoate
CID 7630533

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate?
The IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate (CID 2662915) is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate is CCC[C@H](C)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate?
The InChIKey is FUZMQMPWFWQOGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-9-15(2)22-19(24)14-27-21(26)17-12-7-8-13-18(17)23-20(25)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,22,24)(H,23,25)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate?
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate has a molecular weight of 368.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate is sourced from PubChem (CID 2662915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).