methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate

C14H29NO4 — CID 82951154

IUPACmethyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate
SMILESCCOCCN(CCOCC)C(C)C(C)C(=O)OC
InChIInChI=1S/C14H29NO4/c1-6-18-10-8-15(9-11-19-7-2)13(4)12(3)14(16)17-5/h12-13H,6-11H2,1-5H3
InChIKeyDYLWPYLZLWDXKM-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.56
Rot. Bonds11

About methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate

methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate (PubChem CID 82951154) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate
PubChem CID82951154
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Namemethyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate
SMILESCCOCCN(CCOCC)C(C)C(C)C(=O)OC
InChIInChI=1S/C14H29NO4/c1-6-18-10-8-15(9-11-19-7-2)13(4)12(3)14(16)17-5/h12-13H,6-11H2,1-5H3
InChIKeyDYLWPYLZLWDXKM-UHFFFAOYSA-N
XLogP1.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate (CID 82951154) is methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate is CCOCCN(CCOCC)C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate?
The InChIKey is DYLWPYLZLWDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-6-18-10-8-15(9-11-19-7-2)13(4)12(3)14(16)17-5/h12-13H,6-11H2,1-5H3.
What are the key properties of methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate?
methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate has a molecular weight of 275.39 g/mol, XLogP of 1.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(2-ethoxyethyl)amino]-2-methylbutanoate is sourced from PubChem (CID 82951154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).