methyl 2-[2-ethylhexanoyl(propyl)amino]acetate

C14H27NO3 — CID 55006245

IUPACmethyl 2-[2-ethylhexanoyl(propyl)amino]acetate
SMILESCCCCC(CC)C(=O)N(CCC)CC(=O)OC
InChIInChI=1S/C14H27NO3/c1-5-8-9-12(7-3)14(17)15(10-6-2)11-13(16)18-4/h12H,5-11H2,1-4H3
InChIKeyODKQNKWJVGCBBV-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.61
Rot. Bonds9

About methyl 2-[2-ethylhexanoyl(propyl)amino]acetate

methyl 2-[2-ethylhexanoyl(propyl)amino]acetate (PubChem CID 55006245) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[2-ethylhexanoyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethylhexanoyl(propyl)amino]acetate
PubChem CID55006245
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[2-ethylhexanoyl(propyl)amino]acetate
SMILESCCCCC(CC)C(=O)N(CCC)CC(=O)OC
InChIInChI=1S/C14H27NO3/c1-5-8-9-12(7-3)14(17)15(10-6-2)11-13(16)18-4/h12H,5-11H2,1-4H3
InChIKeyODKQNKWJVGCBBV-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953627
methyl 3-[2-ethylhexanoyl(2-methoxyethyl)amino]propanoate
CID 115535566
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
2-ethyl-N,N-bis(hydroxymethyl)decanamide
CID 139887025
butyl 3-[butyl(2-ethylhexanoyl)amino]propanoate
CID 11472894
(2-methoxy-2-oxoethyl) 2-ethylhexanoate
CID 13468591
2-ethyl-N,N-dimethylhexanamide
CID 3019000
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
N-(2-chloroethyl)-2-ethyl-N-methylhexanamide
CID 63391803
N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
CID 43459457
methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethylhexanoyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[2-ethylhexanoyl(propyl)amino]acetate (CID 55006245) is methyl 2-[2-ethylhexanoyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-ethylhexanoyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[2-ethylhexanoyl(propyl)amino]acetate is CCCCC(CC)C(=O)N(CCC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-ethylhexanoyl(propyl)amino]acetate?
The InChIKey is ODKQNKWJVGCBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-8-9-12(7-3)14(17)15(10-6-2)11-13(16)18-4/h12H,5-11H2,1-4H3.
What are the key properties of methyl 2-[2-ethylhexanoyl(propyl)amino]acetate?
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethylhexanoyl(propyl)amino]acetate is sourced from PubChem (CID 55006245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).