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

C22H27NO4 — CID 7856156

IUPAC[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
SMILESCCC[C@H](C)NC(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H27NO4/c1-3-9-17(2)23-21(24)15-27-22(25)16-26-20-13-8-7-12-19(20)14-18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyZDAOHTJTKCOFJA-KRWDZBQOSA-N
MW369.46 g/mol
LogP3.50
Rot. Bonds10

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

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate (PubChem CID 7856156) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
PubChem CID7856156
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
SMILESCCC[C@H](C)NC(=O)COC(=O)COc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H27NO4/c1-3-9-17(2)23-21(24)15-27-22(25)16-26-20-13-8-7-12-19(20)14-18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyZDAOHTJTKCOFJA-KRWDZBQOSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate
CID 7856155
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329396
methyl 2-(2-benzylphenoxy)acetate
CID 43237517
methyl (2S)-2-[[2-(2-benzylphenoxy)acetyl]amino]-3-methylbutanoate
CID 55943159
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 7999915
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573103
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 40585349

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate (CID 7856156) is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate is CCC[C@H](C)NC(=O)COC(=O)COc1ccccc1Cc1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate?
The InChIKey is ZDAOHTJTKCOFJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-9-17(2)23-21(24)15-27-22(25)16-26-20-13-8-7-12-19(20)14-18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,14-16H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate?
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-benzylphenoxy)acetate has a molecular weight of 369.46 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 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-(2-benzylphenoxy)acetate is sourced from PubChem (CID 7856156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).