ethyl 3-[(2-methoxycyclohexyl)amino]benzoate

C16H23NO3 — CID 43774526

IUPACethyl 3-[(2-methoxycyclohexyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC2CCCCC2OC)c1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)12-7-6-8-13(11-12)17-14-9-4-5-10-15(14)19-2/h6-8,11,14-15,17H,3-5,9-10H2,1-2H3
InChIKeyDGSWRUJZNOKAGU-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.23
Rot. Bonds5

About ethyl 3-[(2-methoxycyclohexyl)amino]benzoate

ethyl 3-[(2-methoxycyclohexyl)amino]benzoate (PubChem CID 43774526) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-[(2-methoxycyclohexyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(2-methoxycyclohexyl)amino]benzoate
PubChem CID43774526
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-[(2-methoxycyclohexyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC2CCCCC2OC)c1
InChIInChI=1S/C16H23NO3/c1-3-20-16(18)12-7-6-8-13(11-12)17-14-9-4-5-10-15(14)19-2/h6-8,11,14-15,17H,3-5,9-10H2,1-2H3
InChIKeyDGSWRUJZNOKAGU-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43783950
ethyl 3-[(4-propylcyclohexyl)amino]benzoate
CID 43139424
ethyl 3-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321933
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
CID 43787408
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzoate
CID 56654570
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
ethyl 3-(cyclopentanecarbonyl)benzoate
CID 24724160
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methoxycyclohexyl)amino]benzoate?
The IUPAC name of ethyl 3-[(2-methoxycyclohexyl)amino]benzoate (CID 43774526) is ethyl 3-[(2-methoxycyclohexyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(2-methoxycyclohexyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(2-methoxycyclohexyl)amino]benzoate is CCOC(=O)c1cccc(NC2CCCCC2OC)c1.
What is the InChIKey of ethyl 3-[(2-methoxycyclohexyl)amino]benzoate?
The InChIKey is DGSWRUJZNOKAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-16(18)12-7-6-8-13(11-12)17-14-9-4-5-10-15(14)19-2/h6-8,11,14-15,17H,3-5,9-10H2,1-2H3.
What are the key properties of ethyl 3-[(2-methoxycyclohexyl)amino]benzoate?
ethyl 3-[(2-methoxycyclohexyl)amino]benzoate has a molecular weight of 277.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methoxycyclohexyl)amino]benzoate is sourced from PubChem (CID 43774526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).