2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide

C14H29NO3 — CID 148767306

IUPAC2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
SMILESCCCCOCCOCC(=O)NCCCC(C)C
InChIInChI=1S/C14H29NO3/c1-4-5-9-17-10-11-18-12-14(16)15-8-6-7-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyOHSKAHIKRZTHDC-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.37
Rot. Bonds12

About 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide

2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide (PubChem CID 148767306) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
PubChem CID148767306
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
SMILESCCCCOCCOCC(=O)NCCCC(C)C
InChIInChI=1S/C14H29NO3/c1-4-5-9-17-10-11-18-12-14(16)15-8-6-7-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyOHSKAHIKRZTHDC-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.37
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

2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide?
The IUPAC name of 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide (CID 148767306) is 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide is CCCCOCCOCC(=O)NCCCC(C)C.
What is the InChIKey of 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide?
The InChIKey is OHSKAHIKRZTHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-5-9-17-10-11-18-12-14(16)15-8-6-7-13(2)3/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide?
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide has a molecular weight of 259.39 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide is sourced from PubChem (CID 148767306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).