methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate

C15H31NO4 — CID 64705937

IUPACmethyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)OCCOC(C)C)C(=O)OC
InChIInChI=1S/C15H31NO4/c1-7-8-16-15(5,14(17)18-6)11-13(4)20-10-9-19-12(2)3/h12-13,16H,7-11H2,1-6H3
InChIKeyISLVJKHWHXTZOQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.14
Rot. Bonds11

About methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate

methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate (PubChem CID 64705937) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
PubChem CID64705937
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Namemethyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate
SMILESCCCNC(C)(CC(C)OCCOC(C)C)C(=O)OC
InChIInChI=1S/C15H31NO4/c1-7-8-16-15(5,14(17)18-6)11-13(4)20-10-9-19-12(2)3/h12-13,16H,7-11H2,1-6H3
InChIKeyISLVJKHWHXTZOQ-UHFFFAOYSA-N
XLogP2.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
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

methyl 4-(2,2-difluoroethoxy)-2-methyl-2-(propylamino)pentanoate
CID 82005665
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
ethyl 2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoate
CID 82962855
methyl 4-ethylsulfanyl-2-methyl-2-(propylamino)pentanoate
CID 64710823
methyl 2-(ethylamino)-4-(2-ethylbutoxy)-2-methylpentanoate
CID 114208556
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 106204642
methyl 2-methyl-2-(methylamino)-4-(3-methylbutoxy)pentanoate
CID 64706329
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate (CID 64705937) is methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate is CCCNC(C)(CC(C)OCCOC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate?
The InChIKey is ISLVJKHWHXTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-7-8-16-15(5,14(17)18-6)11-13(4)20-10-9-19-12(2)3/h12-13,16H,7-11H2,1-6H3.
What are the key properties of methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate?
methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate has a molecular weight of 289.42 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanoate is sourced from PubChem (CID 64705937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).