4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide

C19H39NO5 — CID 178008137

IUPAC4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
SMILESCCCOCCOCCOCCOCCNC(=O)CCC(C)C(C)C
InChIInChI=1S/C19H39NO5/c1-5-9-22-11-13-24-15-16-25-14-12-23-10-8-20-19(21)7-6-18(4)17(2)3/h17-18H,5-16H2,1-4H3,(H,20,21)
InChIKeyGEYUWOOOSPASFG-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.65
Rot. Bonds18

About 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide

4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide (PubChem CID 178008137) has the molecular formula C19H39NO5 and a molecular weight of 361.52 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
PubChem CID178008137
Molecular FormulaC19H39NO5
Molecular Weight361.52 g/mol
Exact Mass361.28
IUPAC Name4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
SMILESCCCOCCOCCOCCOCCNC(=O)CCC(C)C(C)C
InChIInChI=1S/C19H39NO5/c1-5-9-22-11-13-24-15-16-25-14-12-23-10-8-20-19(21)7-6-18(4)17(2)3/h17-18H,5-16H2,1-4H3,(H,20,21)
InChIKeyGEYUWOOOSPASFG-UHFFFAOYSA-N
XLogP2.65
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.65
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-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 156649796
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
The IUPAC name of 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide (CID 178008137) is 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide.
What is the SMILES notation for 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
The canonical SMILES for 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide is CCCOCCOCCOCCOCCNC(=O)CCC(C)C(C)C.
What is the InChIKey of 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
The InChIKey is GEYUWOOOSPASFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO5/c1-5-9-22-11-13-24-15-16-25-14-12-23-10-8-20-19(21)7-6-18(4)17(2)3/h17-18H,5-16H2,1-4H3,(H,20,21).
What are the key properties of 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide?
4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide has a molecular weight of 361.52 g/mol, XLogP of 2.65, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide is sourced from PubChem (CID 178008137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).