ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate

C15H29NO3 — CID 142652661

IUPACethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OCCN(CC)CC)CC1
InChIInChI=1S/C15H29NO3/c1-4-16(5-2)11-12-19-14-9-7-13(8-10-14)15(17)18-6-3/h13-14H,4-12H2,1-3H3
InChIKeyJXZRLBKHUKMHEQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.47
Rot. Bonds8

About ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate

ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate (PubChem CID 142652661) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate
PubChem CID142652661
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OCCN(CC)CC)CC1
InChIInChI=1S/C15H29NO3/c1-4-16(5-2)11-12-19-14-9-7-13(8-10-14)15(17)18-6-3/h13-14H,4-12H2,1-3H3
InChIKeyJXZRLBKHUKMHEQ-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate (CID 142652661) is ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(OCCN(CC)CC)CC1.
What is the InChIKey of ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate?
The InChIKey is JXZRLBKHUKMHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-16(5-2)11-12-19-14-9-7-13(8-10-14)15(17)18-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate?
ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(diethylamino)ethoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 142652661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).