[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate

C15H21NO3 — CID 102595123

IUPAC[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
SMILESCC(=O)NC[C@](C)(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C15H21NO3/c1-12(17)16-11-15(3,19-13(2)18)10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,16,17)/t15-/m0/s1
InChIKeyROMJJTMZXVFOEV-HNNXBMFYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds6

About [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate

[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate (PubChem CID 102595123) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
PubChem CID102595123
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate
SMILESCC(=O)NC[C@](C)(CCc1ccccc1)OC(C)=O
InChIInChI=1S/C15H21NO3/c1-12(17)16-11-15(3,19-13(2)18)10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,16,17)/t15-/m0/s1
InChIKeyROMJJTMZXVFOEV-HNNXBMFYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
CID 150377351
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
(3-acetamido-3-methyl-5-phenylpentyl) acetate
CID 10683940
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
2-methyl-4-phenylbutan-2-ol;2-phenylethyl acetate
CID 71092180
(3-hydroxy-3-methyl-5-phenylpentyl) acetate
CID 14382134
2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 22284629
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
CID 54139822
tert-butyl N-[3-iodo-2-methyl-2-(2-phenylethoxy)propyl]carbamate
CID 165493506

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate?
The IUPAC name of [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate (CID 102595123) is [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate?
The canonical SMILES for [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate is CC(=O)NC[C@](C)(CCc1ccccc1)OC(C)=O.
What is the InChIKey of [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate?
The InChIKey is ROMJJTMZXVFOEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(17)16-11-15(3,19-13(2)18)10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,16,17)/t15-/m0/s1.
What are the key properties of [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate?
[(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-acetamido-2-methyl-4-phenylbutan-2-yl] acetate is sourced from PubChem (CID 102595123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).