[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate

C22H25NO4 — CID 7783210

IUPAC[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25NO4/c1-15(20(25)16-10-12-18(13-11-16)22(2,3)4)27-19(24)14-23-21(26)17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyGJIQROKZSBANRR-HNNXBMFYSA-N
MW367.45 g/mol
LogP3.53
Rot. Bonds6

About [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate

[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate (PubChem CID 7783210) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
PubChem CID7783210
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25NO4/c1-15(20(25)16-10-12-18(13-11-16)22(2,3)4)27-19(24)14-23-21(26)17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyGJIQROKZSBANRR-HNNXBMFYSA-N
XLogP3.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854498
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 4556950
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805428
(1-oxo-1-phenylpropan-2-yl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 18270137
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 42963490

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The IUPAC name of [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate (CID 7783210) is [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate is C[C@H](OC(=O)CNC(=O)c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
The InChIKey is GJIQROKZSBANRR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15(20(25)16-10-12-18(13-11-16)22(2,3)4)27-19(24)14-23-21(26)17-8-6-5-7-9-17/h5-13,15H,14H2,1-4H3,(H,23,26)/t15-/m0/s1.
What are the key properties of [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate?
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate has a molecular weight of 367.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 7783210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).