ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate

C17H25NO2 — CID 64761186

IUPACethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC1CC(C)CCC1C
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)14-7-5-6-8-15(14)18-16-11-12(2)9-10-13(16)3/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyPUYBMVMEUSSVTQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.10
Rot. Bonds4

About ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate

ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate (PubChem CID 64761186) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
PubChem CID64761186
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC1CC(C)CCC1C
InChIInChI=1S/C17H25NO2/c1-4-20-17(19)14-7-5-6-8-15(14)18-16-11-12(2)9-10-13(16)3/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyPUYBMVMEUSSVTQ-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,4-dimethylcyclohexyl)amino]benzoate
CID 64760987
ethyl 2-(cyclopropylamino)benzoate
CID 103438878
ethyl 2-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 63423536
ethyl 2-[(3-propan-2-ylcyclobutyl)amino]benzoate
CID 103561022
ethyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzoate
CID 43322154
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107240249
ethyl 2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 8930711
ethyl 2-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 115544799
ethyl 2-amino-3-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 115544443
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
ethyl 3-amino-2-[(2-methylcyclopropyl)amino]benzoate
CID 112578791
N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate (CID 64761186) is ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate is CCOC(=O)c1ccccc1NC1CC(C)CCC1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate?
The InChIKey is PUYBMVMEUSSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-17(19)14-7-5-6-8-15(14)18-16-11-12(2)9-10-13(16)3/h5-8,12-13,16,18H,4,9-11H2,1-3H3.
What are the key properties of ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate?
ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate has a molecular weight of 275.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate is sourced from PubChem (CID 64761186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).