ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate

C14H27NO4 — CID 12636193

IUPACethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N(CCO)CCO)CC1
InChIInChI=1S/C14H27NO4/c1-2-19-14(18)11-12-3-5-13(6-4-12)15(7-9-16)8-10-17/h12-13,16-17H,2-11H2,1H3
InChIKeyNVXFDICEJFZFRU-UHFFFAOYSA-N
MW273.37 g/mol
LogP0.79
Rot. Bonds8

About ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate

ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate (PubChem CID 12636193) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
PubChem CID12636193
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(N(CCO)CCO)CC1
InChIInChI=1S/C14H27NO4/c1-2-19-14(18)11-12-3-5-13(6-4-12)15(7-9-16)8-10-17/h12-13,16-17H,2-11H2,1H3
InChIKeyNVXFDICEJFZFRU-UHFFFAOYSA-N
XLogP0.79
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate (CID 12636193) is ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate is CCOC(=O)CC1CCC(N(CCO)CCO)CC1.
What is the InChIKey of ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate?
The InChIKey is NVXFDICEJFZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-19-14(18)11-12-3-5-13(6-4-12)15(7-9-16)8-10-17/h12-13,16-17H,2-11H2,1H3.
What are the key properties of ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate?
ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate has a molecular weight of 273.37 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate is sourced from PubChem (CID 12636193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).