N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide

C12H25NO3 — CID 139430629

IUPACN-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
SMILESCOCCOCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-12(2,3)6-5-11(14)13-7-8-16-10-9-15-4/h5-10H2,1-4H3,(H,13,14)
InChIKeyXETPIHOAHPDBPC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.59
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide

N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide (PubChem CID 139430629) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
PubChem CID139430629
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
SMILESCOCCOCCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-12(2,3)6-5-11(14)13-7-8-16-10-9-15-4/h5-10H2,1-4H3,(H,13,14)
InChIKeyXETPIHOAHPDBPC-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 134167212
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N-[2-(2-methoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 107027119
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane
CID 159659856
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
CID 90290747

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide (CID 139430629) is N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide is COCCOCCNC(=O)CCC(C)(C)C.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide?
The InChIKey is XETPIHOAHPDBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,3)6-5-11(14)13-7-8-16-10-9-15-4/h5-10H2,1-4H3,(H,13,14).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide?
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide has a molecular weight of 231.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 139430629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).