ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate

C15H31NO5 — CID 104565270

IUPACethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(C)(CCOCCOCCOC)NC(C)C
InChIInChI=1S/C15H31NO5/c1-6-21-14(17)15(4,16-13(2)3)7-8-19-11-12-20-10-9-18-5/h13,16H,6-12H2,1-5H3
InChIKeyZQUCCCFELUHRQD-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.38
Rot. Bonds13

About ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate

ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate (PubChem CID 104565270) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
PubChem CID104565270
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Nameethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(C)(CCOCCOCCOC)NC(C)C
InChIInChI=1S/C15H31NO5/c1-6-21-14(17)15(4,16-13(2)3)7-8-19-11-12-20-10-9-18-5/h13,16H,6-12H2,1-5H3
InChIKeyZQUCCCFELUHRQD-UHFFFAOYSA-N
XLogP1.38
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanoate
CID 115942549
ethyl 4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(methylamino)butanoate
CID 103180000
ethyl 2-methyl-4-(2-methylpentoxy)-2-(propan-2-ylamino)butanoate
CID 103284924
ethyl 6-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)hexanoate
CID 104565496
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(propan-2-ylamino)butanamide
CID 112589105
methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate
CID 63685671
ethyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755733
ethyl 5-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66129175
methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
CID 106448960

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate (CID 104565270) is ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate is CCOC(=O)C(C)(CCOCCOCCOC)NC(C)C.
What is the InChIKey of ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate?
The InChIKey is ZQUCCCFELUHRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-6-21-14(17)15(4,16-13(2)3)7-8-19-11-12-20-10-9-18-5/h13,16H,6-12H2,1-5H3.
What are the key properties of ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate?
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate has a molecular weight of 305.42 g/mol, XLogP of 1.38, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 104565270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).