ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate

C13H25NO3 — CID 103244836

IUPACethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC1(C)CCCCC1
InChIInChI=1S/C13H25NO3/c1-3-17-12(15)11-16-10-9-14-13(2)7-5-4-6-8-13/h14H,3-11H2,1-2H3
InChIKeyRZRZSVXFSUQVBX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds7

About ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate

ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate (PubChem CID 103244836) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate
PubChem CID103244836
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC1(C)CCCCC1
InChIInChI=1S/C13H25NO3/c1-3-17-12(15)11-16-10-9-14-13(2)7-5-4-6-8-13/h14H,3-11H2,1-2H3
InChIKeyRZRZSVXFSUQVBX-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate (CID 103244836) is ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate is CCOC(=O)COCCNC1(C)CCCCC1.
What is the InChIKey of ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate?
The InChIKey is RZRZSVXFSUQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-12(15)11-16-10-9-14-13(2)7-5-4-6-8-13/h14H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate?
ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate is sourced from PubChem (CID 103244836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).