ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate

C12H25NO3 — CID 64539685

IUPACethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate
SMILESCCOC(=O)CC(C)(COC)N(CC)CC
InChIInChI=1S/C12H25NO3/c1-6-13(7-2)12(4,10-15-5)9-11(14)16-8-3/h6-10H2,1-5H3
InChIKeyUYDZQJXZALXCPM-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.69
Rot. Bonds8

About ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate

ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate (PubChem CID 64539685) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate
PubChem CID64539685
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate
SMILESCCOC(=O)CC(C)(COC)N(CC)CC
InChIInChI=1S/C12H25NO3/c1-6-13(7-2)12(4,10-15-5)9-11(14)16-8-3/h6-10H2,1-5H3
InChIKeyUYDZQJXZALXCPM-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate?
The IUPAC name of ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate (CID 64539685) is ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate.
What is the SMILES notation for ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate?
The canonical SMILES for ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate is CCOC(=O)CC(C)(COC)N(CC)CC.
What is the InChIKey of ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate?
The InChIKey is UYDZQJXZALXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-13(7-2)12(4,10-15-5)9-11(14)16-8-3/h6-10H2,1-5H3.
What are the key properties of ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate?
ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate has a molecular weight of 231.34 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylamino)-4-methoxy-3-methylbutanoate is sourced from PubChem (CID 64539685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).