[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate

C20H29NO5 — CID 25163726

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OC(C)C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C20H29NO5/c1-4-24-16-9-11-17(12-10-16)25-13-19(22)26-15(3)20(23)21-18-8-6-5-7-14(18)2/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23)
InChIKeyWREFGJSCMBRYGB-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.09
Rot. Bonds8

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate (PubChem CID 25163726) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
PubChem CID25163726
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OC(C)C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C20H29NO5/c1-4-24-16-9-11-17(12-10-16)25-13-19(22)26-15(3)20(23)21-18-8-6-5-7-14(18)2/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23)
InChIKeyWREFGJSCMBRYGB-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-2-(4-methoxyphenoxy)acetamide
CID 774454
2-(4-Methoxyphenoxy)-N-(2-phenylethyl)ethanimidic acid
CID 210238
2-[4-(benzyloxy)phenoxy]-N-ethylacetamide
CID 1257662
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506754
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
[2-(Cyclohexylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556394
2-(4-methoxyphenoxy)-N-(1-phenylethyl)propanamide
CID 2789587
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 4093242
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate (CID 25163726) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OC(C)C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
The InChIKey is WREFGJSCMBRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-24-16-9-11-17(12-10-16)25-13-19(22)26-15(3)20(23)21-18-8-6-5-7-14(18)2/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23).
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate has a molecular weight of 363.45 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 25163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).