N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane

C23H55NO6 — CID 159659856

IUPACN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane
SMILESC.C.C.C.COCCOCC(COCCCNC(=O)CCC(C)(C)C)OCCOC
InChIInChI=1S/C19H39NO6.4CH4/c1-19(2,3)8-7-18(21)20-9-6-10-24-15-17(26-14-12-23-5)16-25-13-11-22-4;;;;/h17H,6-16H2,1-5H3,(H,20,21);4*1H4
InChIKeyMSQVHTLLFSHVGJ-UHFFFAOYSA-N
MW441.69 g/mol
LogP4.57
Rot. Bonds17

About N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane

N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane (PubChem CID 159659856) has the molecular formula C23H55NO6 and a molecular weight of 441.69 g/mol. Its IUPAC name is N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane.

Molecular Properties

Compound NameN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane
PubChem CID159659856
Molecular FormulaC23H55NO6
Molecular Weight441.69 g/mol
Exact Mass441.40
IUPAC NameN-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane
SMILESC.C.C.C.COCCOCC(COCCCNC(=O)CCC(C)(C)C)OCCOC
InChIInChI=1S/C19H39NO6.4CH4/c1-19(2,3)8-7-18(21)20-9-6-10-24-15-17(26-14-12-23-5)16-25-13-11-22-4;;;;/h17H,6-16H2,1-5H3,(H,20,21);4*1H4
InChIKeyMSQVHTLLFSHVGJ-UHFFFAOYSA-N
XLogP4.57
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.69
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 118907319
12-[7-[2,3-bis(2-methoxyethoxy)propoxy]heptanoylamino]dodecyl methyl phosphate;methane
CID 157271265
N-[3-[3-[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]-2-[2-[2-(2-hydroxyethoxy)-3-(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 169032223
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
[(2R)-2,3-di(tetradecoxy)propyl] N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]carbamate
CID 162468032
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
4,4-dimethyl-N-[2-[2-(4-oxononadecoxy)ethoxy]ethyl]pentanamide
CID 58070977
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
2-[3-[2-[2-[2-[2-[1,3-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]acetamide
CID 141360570

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane?
The IUPAC name of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane (CID 159659856) is N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane.
What is the SMILES notation for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane?
The canonical SMILES for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane is C.C.C.C.COCCOCC(COCCCNC(=O)CCC(C)(C)C)OCCOC.
What is the InChIKey of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane?
The InChIKey is MSQVHTLLFSHVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO6.4CH4/c1-19(2,3)8-7-18(21)20-9-6-10-24-15-17(26-14-12-23-5)16-25-13-11-22-4;;;;/h17H,6-16H2,1-5H3,(H,20,21);4*1H4.
What are the key properties of N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane?
N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane has a molecular weight of 441.69 g/mol, XLogP of 4.57, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,3-bis(2-methoxyethoxy)propoxy]propyl]-4,4-dimethylpentanamide;methane is sourced from PubChem (CID 159659856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).