ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate

C15H29NO4 — CID 142904626

IUPACethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)COCCC(C)C
InChIInChI=1S/C15H29NO4/c1-4-20-15(18)8-6-5-7-10-16-14(17)12-19-11-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyQHYRLBUIXRUGRH-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.29
Rot. Bonds12

About ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate

ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate (PubChem CID 142904626) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate
PubChem CID142904626
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)COCCC(C)C
InChIInChI=1S/C15H29NO4/c1-4-20-15(18)8-6-5-7-10-16-14(17)12-19-11-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyQHYRLBUIXRUGRH-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
ethyl 17-methyloctadecanoate
CID 122524767
ethyl 4-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]butanoate
CID 111971352
ethyl 7-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 110979264
ethyl 5-(butanoylamino)pentanoate
CID 131842627
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
ethyl 3-[[2-(2-aminoethoxy)acetyl]amino]propanoate
CID 79478891
ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
CID 170613092
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
2-(3-methylbutoxy)acetohydrazide
CID 63588728
bismuthane;ethyl 6-methylheptanoate
CID 175540267
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?
The IUPAC name of ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate (CID 142904626) is ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate.
What is the SMILES notation for ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?
The canonical SMILES for ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate is CCOC(=O)CCCCCNC(=O)COCCC(C)C.
What is the InChIKey of ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?
The InChIKey is QHYRLBUIXRUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-4-20-15(18)8-6-5-7-10-16-14(17)12-19-11-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate?
ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate has a molecular weight of 287.40 g/mol, XLogP of 2.29, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(3-methylbutoxy)acetyl]amino]hexanoate is sourced from PubChem (CID 142904626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).