methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate

C16H33NO4 — CID 106448960

IUPACmethyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CCCOCCOCC(C)C)NC(C)C
InChIInChI=1S/C16H33NO4/c1-13(2)12-21-11-10-20-9-7-8-16(5,15(18)19-6)17-14(3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyAHAVTZRWYJWQJJ-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.39
Rot. Bonds12

About methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate

methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate (PubChem CID 106448960) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
PubChem CID106448960
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Namemethyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CCCOCCOCC(C)C)NC(C)C
InChIInChI=1S/C16H33NO4/c1-13(2)12-21-11-10-20-9-7-8-16(5,15(18)19-6)17-14(3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyAHAVTZRWYJWQJJ-UHFFFAOYSA-N
XLogP2.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.39
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

2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
methyl 2-methyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanoate
CID 63685671
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
5-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(methylamino)pentanamide
CID 104565427
ethyl 5-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204394
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
methyl 2-methyl-5-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 107755859
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
methyl 6-(3-hydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexanoate
CID 66128963
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate (CID 106448960) is methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate is COC(=O)C(C)(CCCOCCOCC(C)C)NC(C)C.
What is the InChIKey of methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate?
The InChIKey is AHAVTZRWYJWQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-13(2)12-21-11-10-20-9-7-8-16(5,15(18)19-6)17-14(3)4/h13-14,17H,7-12H2,1-6H3.
What are the key properties of methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate?
methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate has a molecular weight of 303.44 g/mol, XLogP of 2.39, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 106448960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).