ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate

C16H25NO3 — CID 103950866

IUPACethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC(CCO)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-4-20-16(19)15(13-8-6-5-7-9-13)17-14(10-11-18)12(2)3/h5-9,12,14-15,17-18H,4,10-11H2,1-3H3
InChIKeyZFLZMCQYFBITFQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.29
Rot. Bonds8

About ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate

ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate (PubChem CID 103950866) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
PubChem CID103950866
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC(CCO)C(C)C)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-4-20-16(19)15(13-8-6-5-7-9-13)17-14(10-11-18)12(2)3/h5-9,12,14-15,17-18H,4,10-11H2,1-3H3
InChIKeyZFLZMCQYFBITFQ-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-methylsulfonylpropan-2-ylamino)-2-phenylacetate
CID 103952156
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
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ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 3-(benzhydrylamino)-4-methylpentanoate
CID 23067229
ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
CID 102303294
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
ethyl (2S)-2-phenylpropanoate
CID 7204861
2-[(4-ethoxy-4-oxo-3-phenylbutyl)amino]propanoic acid
CID 19986319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate (CID 103950866) is ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate is CCOC(=O)C(NC(CCO)C(C)C)c1ccccc1.
What is the InChIKey of ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate?
The InChIKey is ZFLZMCQYFBITFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-16(19)15(13-8-6-5-7-9-13)17-14(10-11-18)12(2)3/h5-9,12,14-15,17-18H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate?
ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate has a molecular weight of 279.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-phenylacetate is sourced from PubChem (CID 103950866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).