methyl 2-(2-cyclohexylethylamino)-2-phenylacetate

C17H25NO2 — CID 78993355

IUPACmethyl 2-(2-cyclohexylethylamino)-2-phenylacetate
SMILESCOC(=O)C(NCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-20-17(19)16(15-10-6-3-7-11-15)18-13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14,16,18H,2,4-5,8-9,12-13H2,1H3
InChIKeyKOJQBDYHFBRIKU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.46
Rot. Bonds6

About methyl 2-(2-cyclohexylethylamino)-2-phenylacetate

methyl 2-(2-cyclohexylethylamino)-2-phenylacetate (PubChem CID 78993355) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 2-(2-cyclohexylethylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-cyclohexylethylamino)-2-phenylacetate
PubChem CID78993355
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 2-(2-cyclohexylethylamino)-2-phenylacetate
SMILESCOC(=O)C(NCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-20-17(19)16(15-10-6-3-7-11-15)18-13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14,16,18H,2,4-5,8-9,12-13H2,1H3
InChIKeyKOJQBDYHFBRIKU-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
CID 80555688
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-phenylacetate
CID 81399531
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
CID 11770950
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
methyl 2-(2-tert-butylsulfonylethylamino)-2-phenylacetate
CID 106723580
methyl 2-[(3-cyano-3-methylbutyl)amino]-2-phenylacetate
CID 65248418
methyl 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-phenylacetate
CID 55024475
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclohexylethylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(2-cyclohexylethylamino)-2-phenylacetate (CID 78993355) is methyl 2-(2-cyclohexylethylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-cyclohexylethylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-cyclohexylethylamino)-2-phenylacetate is COC(=O)C(NCCC1CCCCC1)c1ccccc1.
What is the InChIKey of methyl 2-(2-cyclohexylethylamino)-2-phenylacetate?
The InChIKey is KOJQBDYHFBRIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-20-17(19)16(15-10-6-3-7-11-15)18-13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14,16,18H,2,4-5,8-9,12-13H2,1H3.
What are the key properties of methyl 2-(2-cyclohexylethylamino)-2-phenylacetate?
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate has a molecular weight of 275.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclohexylethylamino)-2-phenylacetate is sourced from PubChem (CID 78993355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).