[2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C17H23NO5 — CID 2361757

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO5/c1-21-14-9-5-6-10-15(14)22-12-17(20)23-11-16(19)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)
InChIKeyRIBFPNMNRQMZMP-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.07
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 2361757) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID2361757
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO5/c1-21-14-9-5-6-10-15(14)22-12-17(20)23-11-16(19)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)
InChIKeyRIBFPNMNRQMZMP-UHFFFAOYSA-N
XLogP2.07
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cetamolol
CID 53698
N-cyclohexyl-2-phenoxyacetamide
CID 832666
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
CID 3135701
ethyl N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)glycinate
CID 3756954
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 425322
N-cyclooctyl-2-(4-methoxyphenoxy)acetamide
CID 774454
2-(2-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 868068
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
CID 2975398
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
2-(4-methoxyphenoxy)-N-(6-{[(4-methoxyphenoxy)acetyl]amino}hexyl)acetamide
CID 4558233

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 2361757) is [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is RIBFPNMNRQMZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-21-14-9-5-6-10-15(14)22-12-17(20)23-11-16(19)18-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 321.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 2361757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).