2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide

C20H41NO5 — CID 166012960

IUPAC2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
SMILESCC(C)CCCNC(=O)COCCOCCOCCOCCCC(C)C
InChIInChI=1S/C20H41NO5/c1-18(2)7-5-9-21-20(22)17-26-16-15-25-14-13-24-12-11-23-10-6-8-19(3)4/h18-19H,5-17H2,1-4H3,(H,21,22)
InChIKeyAEHPBMMEPUSSPD-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.04
Rot. Bonds19

About 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide

2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide (PubChem CID 166012960) has the molecular formula C20H41NO5 and a molecular weight of 375.55 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
PubChem CID166012960
Molecular FormulaC20H41NO5
Molecular Weight375.55 g/mol
Exact Mass375.30
IUPAC Name2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
SMILESCC(C)CCCNC(=O)COCCOCCOCCOCCCC(C)C
InChIInChI=1S/C20H41NO5/c1-18(2)7-5-9-21-20(22)17-26-16-15-25-14-13-24-12-11-23-10-6-8-19(3)4/h18-19H,5-17H2,1-4H3,(H,21,22)
InChIKeyAEHPBMMEPUSSPD-UHFFFAOYSA-N
XLogP3.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.04
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

N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
CID 130253038
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 167615688
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
The IUPAC name of 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide (CID 166012960) is 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide.
What is the SMILES notation for 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
The canonical SMILES for 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide is CC(C)CCCNC(=O)COCCOCCOCCOCCCC(C)C.
What is the InChIKey of 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
The InChIKey is AEHPBMMEPUSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO5/c1-18(2)7-5-9-21-20(22)17-26-16-15-25-14-13-24-12-11-23-10-6-8-19(3)4/h18-19H,5-17H2,1-4H3,(H,21,22).
What are the key properties of 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide has a molecular weight of 375.55 g/mol, XLogP of 3.04, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide is sourced from PubChem (CID 166012960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).