[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate

C19H28N2O5 — CID 9309796

IUPAC[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)NC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O5/c1-12(2)20-18(24)21-17(23)13(3)26-16(22)11-25-15-10-8-7-9-14(15)19(4,5)6/h7-10,12-13H,11H2,1-6H3,(H2,20,21,23,24)/t13-/m0/s1
InChIKeyDMDWCDWAAXMICS-ZDUSSCGKSA-N
MW364.44 g/mol
LogP2.53
Rot. Bonds6

About [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate

[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate (PubChem CID 9309796) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate
PubChem CID9309796
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate
SMILESCC(C)NC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O5/c1-12(2)20-18(24)21-17(23)13(3)26-16(22)11-25-15-10-8-7-9-14(15)19(4,5)6/h7-10,12-13H,11H2,1-6H3,(H2,20,21,23,24)/t13-/m0/s1
InChIKeyDMDWCDWAAXMICS-ZDUSSCGKSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate with MolForge

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Related Compounds

[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-tert-butylphenoxy)acetate
CID 8701349
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938677
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-ditert-butylphenoxy)acetate
CID 9061499
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954590
acetyl 2-(2-tert-butylphenoxy)acetate
CID 87336572
3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
CID 119221548
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540587
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(2-bromobenzoyl)amino]acetate
CID 8879499
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854094
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885836
2-(2-tert-butylphenoxy)acetamide
CID 17051379

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate?
The IUPAC name of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate (CID 9309796) is [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate?
The canonical SMILES for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate is CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate?
The InChIKey is DMDWCDWAAXMICS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-12(2)20-18(24)21-17(23)13(3)26-16(22)11-25-15-10-8-7-9-14(15)19(4,5)6/h7-10,12-13H,11H2,1-6H3,(H2,20,21,23,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate?
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate has a molecular weight of 364.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2-tert-butylphenoxy)acetate is sourced from PubChem (CID 9309796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).