ethyl 3-[(4-propylcyclohexyl)amino]benzoate

C18H27NO2 — CID 43139424

IUPACethyl 3-[(4-propylcyclohexyl)amino]benzoate
SMILESCCCC1CCC(Nc2cccc(C(=O)OCC)c2)CC1
InChIInChI=1S/C18H27NO2/c1-3-6-14-9-11-16(12-10-14)19-17-8-5-7-15(13-17)18(20)21-4-2/h5,7-8,13-14,16,19H,3-4,6,9-12H2,1-2H3
InChIKeyABEWWLPDBJMQJN-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.63
Rot. Bonds6

About ethyl 3-[(4-propylcyclohexyl)amino]benzoate

ethyl 3-[(4-propylcyclohexyl)amino]benzoate (PubChem CID 43139424) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 3-[(4-propylcyclohexyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-propylcyclohexyl)amino]benzoate
PubChem CID43139424
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 3-[(4-propylcyclohexyl)amino]benzoate
SMILESCCCC1CCC(Nc2cccc(C(=O)OCC)c2)CC1
InChIInChI=1S/C18H27NO2/c1-3-6-14-9-11-16(12-10-14)19-17-8-5-7-15(13-17)18(20)21-4-2/h5,7-8,13-14,16,19H,3-4,6,9-12H2,1-2H3
InChIKeyABEWWLPDBJMQJN-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
ethyl 3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]benzoate
CID 156761076
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 3-(3-cyclopentylpropanoylamino)benzoate
CID 837279
ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
ethyl 3-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321933
3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
CID 43698673
ethyl 3-[(2-methoxycyclohexyl)amino]benzoate
CID 43774526
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
ethyl 3-acetamidobenzoate
CID 700589
ethyl 4-[(4-aminocyclohexyl)amino]-3-methylbenzoate
CID 130332687
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-propylcyclohexyl)amino]benzoate?
The IUPAC name of ethyl 3-[(4-propylcyclohexyl)amino]benzoate (CID 43139424) is ethyl 3-[(4-propylcyclohexyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(4-propylcyclohexyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(4-propylcyclohexyl)amino]benzoate is CCCC1CCC(Nc2cccc(C(=O)OCC)c2)CC1.
What is the InChIKey of ethyl 3-[(4-propylcyclohexyl)amino]benzoate?
The InChIKey is ABEWWLPDBJMQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-6-14-9-11-16(12-10-14)19-17-8-5-7-15(13-17)18(20)21-4-2/h5,7-8,13-14,16,19H,3-4,6,9-12H2,1-2H3.
What are the key properties of ethyl 3-[(4-propylcyclohexyl)amino]benzoate?
ethyl 3-[(4-propylcyclohexyl)amino]benzoate has a molecular weight of 289.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-propylcyclohexyl)amino]benzoate is sourced from PubChem (CID 43139424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).