ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate

C16H25NO3 — CID 103952035

IUPACethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
SMILESCCCC(C)(O)CNC(C(=O)OCC)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-4-11-16(3,19)12-17-14(15(18)20-5-2)13-9-7-6-8-10-13/h6-10,14,17,19H,4-5,11-12H2,1-3H3
InChIKeyWMWICKCJSAZABX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.43
Rot. Bonds8

About ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate

ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate (PubChem CID 103952035) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
PubChem CID103952035
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
SMILESCCCC(C)(O)CNC(C(=O)OCC)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-4-11-16(3,19)12-17-14(15(18)20-5-2)13-9-7-6-8-10-13/h6-10,14,17,19H,4-5,11-12H2,1-3H3
InChIKeyWMWICKCJSAZABX-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol
CID 106292736
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
CID 90042137
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
CID 103601305
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate (CID 103952035) is ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate is CCCC(C)(O)CNC(C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate?
The InChIKey is WMWICKCJSAZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-11-16(3,19)12-17-14(15(18)20-5-2)13-9-7-6-8-10-13/h6-10,14,17,19H,4-5,11-12H2,1-3H3.
What are the key properties of ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate?
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate has a molecular weight of 279.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate is sourced from PubChem (CID 103952035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).