ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate

C15H29NO3 — CID 63038895

IUPACethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCOC1CCCCC1CC)NC
InChIInChI=1S/C15H29NO3/c1-4-12-8-6-7-9-14(12)19-11-10-13(16-3)15(17)18-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyLVMCKDZFGIKGFJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds8

About ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate

ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate (PubChem CID 63038895) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
PubChem CID63038895
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCOC1CCCCC1CC)NC
InChIInChI=1S/C15H29NO3/c1-4-12-8-6-7-9-14(12)19-11-10-13(16-3)15(17)18-5-2/h12-14,16H,4-11H2,1-3H3
InChIKeyLVMCKDZFGIKGFJ-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate (CID 63038895) is ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate is CCOC(=O)C(CCOC1CCCCC1CC)NC.
What is the InChIKey of ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate?
The InChIKey is LVMCKDZFGIKGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-12-8-6-7-9-14(12)19-11-10-13(16-3)15(17)18-5-2/h12-14,16H,4-11H2,1-3H3.
What are the key properties of ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate?
ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate is sourced from PubChem (CID 63038895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).