ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate

C14H27NO3 — CID 113414624

IUPACethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCC(OC)CC1
InChIInChI=1S/C14H27NO3/c1-4-10-15-14(11-13(16)18-5-2)8-6-12(17-3)7-9-14/h12,15H,4-11H2,1-3H3
InChIKeyNIBJNRCZGIPFEO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds7

About ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate

ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate (PubChem CID 113414624) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
PubChem CID113414624
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCC(OC)CC1
InChIInChI=1S/C14H27NO3/c1-4-10-15-14(11-13(16)18-5-2)8-6-12(17-3)7-9-14/h12,15H,4-11H2,1-3H3
InChIKeyNIBJNRCZGIPFEO-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate 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 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate (CID 113414624) is ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate is CCCNC1(CC(=O)OCC)CCC(OC)CC1.
What is the InChIKey of ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate?
The InChIKey is NIBJNRCZGIPFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-10-15-14(11-13(16)18-5-2)8-6-12(17-3)7-9-14/h12,15H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate?
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate is sourced from PubChem (CID 113414624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).