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

C20H41NO5 — CID 171838407

IUPAC2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
SMILESCCCCCCOCCOCCOCCOCC(=O)NCCCC(C)C
InChIInChI=1S/C20H41NO5/c1-4-5-6-7-11-23-12-13-24-14-15-25-16-17-26-18-20(22)21-10-8-9-19(2)3/h19H,4-18H2,1-3H3,(H,21,22)
InChIKeyCPMMQJZMWHAEIF-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.19
Rot. Bonds20

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

2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide (PubChem CID 171838407) has the molecular formula C20H41NO5 and a molecular weight of 375.55 g/mol. Its IUPAC name is 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
PubChem CID171838407
Molecular FormulaC20H41NO5
Molecular Weight375.55 g/mol
Exact Mass375.30
IUPAC Name2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
SMILESCCCCCCOCCOCCOCCOCC(=O)NCCCC(C)C
InChIInChI=1S/C20H41NO5/c1-4-5-6-7-11-23-12-13-24-14-15-25-16-17-26-18-20(22)21-10-8-9-19(2)3/h19H,4-18H2,1-3H3,(H,21,22)
InChIKeyCPMMQJZMWHAEIF-UHFFFAOYSA-N
XLogP3.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.19
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-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
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-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
ethane;N-hexyl-3-[2-(3-methylbutoxy)ethoxy]propanamide;molecular hydrogen
CID 170613092
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
CID 170597970

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
The IUPAC name of 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide (CID 171838407) is 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide.
What is the SMILES notation for 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
The canonical SMILES for 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide is CCCCCCOCCOCCOCCOCC(=O)NCCCC(C)C.
What is the InChIKey of 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
The InChIKey is CPMMQJZMWHAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO5/c1-4-5-6-7-11-23-12-13-24-14-15-25-16-17-26-18-20(22)21-10-8-9-19(2)3/h19H,4-18H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide?
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide has a molecular weight of 375.55 g/mol, XLogP of 3.19, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide is sourced from PubChem (CID 171838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).