cyclohexylmethyl 2-(2,6-diethylanilino)propanoate

C20H31NO2 — CID 20574859

IUPACcyclohexylmethyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCC1CCCCC1
InChIInChI=1S/C20H31NO2/c1-4-17-12-9-13-18(5-2)19(17)21-15(3)20(22)23-14-16-10-7-6-8-11-16/h9,12-13,15-16,21H,4-8,10-11,14H2,1-3H3
InChIKeyNBGCDBQVTULLBJ-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.74
Rot. Bonds7

About cyclohexylmethyl 2-(2,6-diethylanilino)propanoate

cyclohexylmethyl 2-(2,6-diethylanilino)propanoate (PubChem CID 20574859) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is cyclohexylmethyl 2-(2,6-diethylanilino)propanoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-(2,6-diethylanilino)propanoate
PubChem CID20574859
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Namecyclohexylmethyl 2-(2,6-diethylanilino)propanoate
SMILESCCc1cccc(CC)c1NC(C)C(=O)OCC1CCCCC1
InChIInChI=1S/C20H31NO2/c1-4-17-12-9-13-18(5-2)19(17)21-15(3)20(22)23-14-16-10-7-6-8-11-16/h9,12-13,15-16,21H,4-8,10-11,14H2,1-3H3
InChIKeyNBGCDBQVTULLBJ-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
2-aminoacetic acid;cyclohexylmethyl (2S)-2-(2,6-dimethylanilino)propanoate
CID 70568702
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
cyclopentylmethyl 2-methylpropanoate
CID 21063892
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
cyclohexyl 2-(2-ethylanilino)propanoate
CID 70524306
cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 25499350
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopentylmethyl 2-aminobutanoate
CID 66322645
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-(2,6-diethylanilino)propanoate?
The IUPAC name of cyclohexylmethyl 2-(2,6-diethylanilino)propanoate (CID 20574859) is cyclohexylmethyl 2-(2,6-diethylanilino)propanoate.
What is the SMILES notation for cyclohexylmethyl 2-(2,6-diethylanilino)propanoate?
The canonical SMILES for cyclohexylmethyl 2-(2,6-diethylanilino)propanoate is CCc1cccc(CC)c1NC(C)C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-(2,6-diethylanilino)propanoate?
The InChIKey is NBGCDBQVTULLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-17-12-9-13-18(5-2)19(17)21-15(3)20(22)23-14-16-10-7-6-8-11-16/h9,12-13,15-16,21H,4-8,10-11,14H2,1-3H3.
What are the key properties of cyclohexylmethyl 2-(2,6-diethylanilino)propanoate?
cyclohexylmethyl 2-(2,6-diethylanilino)propanoate has a molecular weight of 317.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-(2,6-diethylanilino)propanoate is sourced from PubChem (CID 20574859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).