ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride

C14H20ClNO3 — CID 11380613

IUPACethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride
SMILESCCOC(=O)CN(C)C(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-4-18-13(16)10-15(3)11(2)14(17)12-8-6-5-7-9-12;/h5-9,11H,4,10H2,1-3H3;1H
InChIKeyYDSVRGTYSONPQC-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.17
Rot. Bonds6

About ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride

ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride (PubChem CID 11380613) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride
PubChem CID11380613
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride
SMILESCCOC(=O)CN(C)C(C)C(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-4-18-13(16)10-15(3)11(2)14(17)12-8-6-5-7-9-12;/h5-9,11H,4,10H2,1-3H3;1H
InChIKeyYDSVRGTYSONPQC-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride (CID 11380613) is ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride is CCOC(=O)CN(C)C(C)C(=O)c1ccccc1.Cl.
What is the InChIKey of ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
The InChIKey is YDSVRGTYSONPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-4-18-13(16)10-15(3)11(2)14(17)12-8-6-5-7-9-12;/h5-9,11H,4,10H2,1-3H3;1H.
What are the key properties of ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride?
ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1-oxo-1-phenylpropan-2-yl)amino]acetate;hydrochloride is sourced from PubChem (CID 11380613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).