ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate

C18H25NO4 — CID 78765365

IUPACethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-3-22-18(21)14-9-11-16(12-10-14)23-13-17(20)19(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKeyKQVNNVCHALQSRS-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.03
Rot. Bonds6

About ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate

ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate (PubChem CID 78765365) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
PubChem CID78765365
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C18H25NO4/c1-3-22-18(21)14-9-11-16(12-10-14)23-13-17(20)19(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3
InChIKeyKQVNNVCHALQSRS-UHFFFAOYSA-N
XLogP3.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
2-(4-cyanophenoxy)-N-cycloheptyl-N-methylacetamide
CID 43409230
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 7043290
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate (CID 78765365) is ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate is CCOC(=O)c1ccc(OCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate?
The InChIKey is KQVNNVCHALQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-22-18(21)14-9-11-16(12-10-14)23-13-17(20)19(2)15-7-5-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3.
What are the key properties of ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate?
ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate has a molecular weight of 319.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 78765365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).