5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide

C14H29NO2 — CID 126755137

IUPAC5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
SMILESCC(C)CCCC(=O)NCCOCCC(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)6-5-7-14(16)15-9-11-17-10-8-13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyRXFLPWQBEZEFGC-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.99
Rot. Bonds10

About 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide

5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide (PubChem CID 126755137) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
PubChem CID126755137
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide
SMILESCC(C)CCCC(=O)NCCOCCC(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)6-5-7-14(16)15-9-11-17-10-8-13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16)
InChIKeyRXFLPWQBEZEFGC-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
The IUPAC name of 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide (CID 126755137) is 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
The canonical SMILES for 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide is CC(C)CCCC(=O)NCCOCCC(C)C.
What is the InChIKey of 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
The InChIKey is RXFLPWQBEZEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)6-5-7-14(16)15-9-11-17-10-8-13(3)4/h12-13H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide?
5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide has a molecular weight of 243.39 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylbutoxy)ethyl]hexanamide is sourced from PubChem (CID 126755137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).