methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate

C15H29NO4 — CID 115535566

IUPACmethyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
SMILESCCCCC(CC)C(=O)N(CCOC)CCC(=O)OC
InChIInChI=1S/C15H29NO4/c1-5-7-8-13(6-2)15(18)16(11-12-19-3)10-9-14(17)20-4/h13H,5-12H2,1-4H3
InChIKeySCROXEURHIELST-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.24
Rot. Bonds11

About methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate

methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate (PubChem CID 115535566) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
PubChem CID115535566
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
SMILESCCCCC(CC)C(=O)N(CCOC)CCC(=O)OC
InChIInChI=1S/C15H29NO4/c1-5-7-8-13(6-2)15(18)16(11-12-19-3)10-9-14(17)20-4/h13H,5-12H2,1-4H3
InChIKeySCROXEURHIELST-UHFFFAOYSA-N
XLogP2.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 3-[butyl(2-ethylhexanoyl)amino]propanoate
CID 11472894
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
methyl 3-[2-cyanobutanoyl(2-methoxyethyl)amino]propanoate
CID 113330459
methyl 3-[2-chloropropanoyl(2-methoxyethyl)amino]propanoate
CID 115534206
2-ethylhexyl 3-[dodecyl(2-ethylhexanoyl)amino]propanoate
CID 11317939
methyl 3-[(3-amino-2-methyl-3-sulfanylidenepropanoyl)-(2-methoxyethyl)amino]propanoate
CID 113330524
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-methoxyethyl(3,4,4-trimethylpentanoyl)amino]propanoate
CID 78958993
methyl 3-[2-(aminomethyl)butanoyl-(2-methylpropyl)amino]propanoate
CID 65227049

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate (CID 115535566) is methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate is CCCCC(CC)C(=O)N(CCOC)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate?
The InChIKey is SCROXEURHIELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-5-7-8-13(6-2)15(18)16(11-12-19-3)10-9-14(17)20-4/h13H,5-12H2,1-4H3.
What are the key properties of methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate?
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate has a molecular weight of 287.40 g/mol, XLogP of 2.24, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115535566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).