ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate

C15H27NO4 — CID 171623835

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)C1CCCCC1C
InChIInChI=1S/C15H27NO4/c1-4-19-14(17)10-16(11-15(18)20-5-2)13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3
InChIKeyCJYLEKAJKJQJPX-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.99
Rot. Bonds7

About ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate (PubChem CID 171623835) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
PubChem CID171623835
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)C1CCCCC1C
InChIInChI=1S/C15H27NO4/c1-4-19-14(17)10-16(11-15(18)20-5-2)13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3
InChIKeyCJYLEKAJKJQJPX-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl N-cyclohexyl-N-methylglycinate
CID 22200524
Ethyl 2-[(3,3-difluorocyclohexyl)methyl-propylamino]acetate
CID 114225022
Ethyl 2-[cyclopropyl-[(3,3-difluorocyclohexyl)methyl]amino]acetate
CID 114225024
Ethyl 2-[(2,6-diethylcyclohexyl)-formylamino]acetate
CID 14344239
Ethyl 2-(2,4-dimethylpiperidin-1-yl)acetate
CID 20795185
Ethyl N-cyclohexyl-N-ethylglycinate
CID 28878886
Ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
N-(1-Cyclohexylbutyl)-N-formylglycine methyl ester
CID 54079396
ethyl (2S)-2-(cyclohexylmethylamino)propanoate
CID 54204171
ethyl 2-[(3R)-3-ethylpiperidin-1-yl]acetate
CID 57545267
Tert-butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 57678128
Methyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 57678210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate (CID 171623835) is ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate is CCOC(=O)CN(CC(=O)OCC)C1CCCCC1C.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate?
The InChIKey is CJYLEKAJKJQJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-19-14(17)10-16(11-15(18)20-5-2)13-9-7-6-8-12(13)3/h12-13H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate has a molecular weight of 285.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate is sourced from PubChem (CID 171623835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).