methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate

C15H31NO4 — CID 64706315

IUPACmethyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
SMILESCCCCOCCOC(C)CC(C)(NCC)C(=O)OC
InChIInChI=1S/C15H31NO4/c1-6-8-9-19-10-11-20-13(3)12-15(4,16-7-2)14(17)18-5/h13,16H,6-12H2,1-5H3
InChIKeySEOYAQXXGYXCPL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.14
Rot. Bonds12

About methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate

methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate (PubChem CID 64706315) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
PubChem CID64706315
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Namemethyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
SMILESCCCCOCCOC(C)CC(C)(NCC)C(=O)OC
InChIInChI=1S/C15H31NO4/c1-6-8-9-19-10-11-20-13(3)12-15(4,16-7-2)14(17)18-5/h13,16H,6-12H2,1-5H3
InChIKeySEOYAQXXGYXCPL-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
CID 114208556
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
CID 64705937
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate (CID 64706315) is methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate is CCCCOCCOC(C)CC(C)(NCC)C(=O)OC.
What is the InChIKey of methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate?
The InChIKey is SEOYAQXXGYXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-6-8-9-19-10-11-20-13(3)12-15(4,16-7-2)14(17)18-5/h13,16H,6-12H2,1-5H3.
What are the key properties of methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate?
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate has a molecular weight of 289.42 g/mol, XLogP of 2.14, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 64706315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).