N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide

C22H42N2O6 — CID 59567241

IUPACN'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide
SMILESCOCCC(COC)COCCCNC(=O)CCCC(=O)NCCCCCC(C)=O
InChIInChI=1S/C22H42N2O6/c1-19(25)9-5-4-6-13-23-21(26)10-7-11-22(27)24-14-8-15-30-18-20(17-29-3)12-16-28-2/h20H,4-18H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVMTHLKYMPUUZOU-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.24
Rot. Bonds21

About N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide

N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide (PubChem CID 59567241) has the molecular formula C22H42N2O6 and a molecular weight of 430.59 g/mol. Its IUPAC name is N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide.

Molecular Properties

Compound NameN'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide
PubChem CID59567241
Molecular FormulaC22H42N2O6
Molecular Weight430.59 g/mol
Exact Mass430.30
IUPAC NameN'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide
SMILESCOCCC(COC)COCCCNC(=O)CCCC(=O)NCCCCCC(C)=O
InChIInChI=1S/C22H42N2O6/c1-19(25)9-5-4-6-13-23-21(26)10-7-11-22(27)24-14-8-15-30-18-20(17-29-3)12-16-28-2/h20H,4-18H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVMTHLKYMPUUZOU-UHFFFAOYSA-N
XLogP2.24
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-acetylphenyl)-N-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]pentanediamide
CID 59567313
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
CID 142462796
6-methoxy-5-oxo-N-(5-oxohexyl)hexanamide
CID 59567253
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
N-(6,10-dioxoundecyl)-2-methoxyacetamide
CID 167591874
N'-(3-methoxypropyl)decanediamide
CID 89083408
6-hydroxy-N-(3-methoxypropyl)hexanamide
CID 177359571
2-[2-oxo-2-[3-[2-[2-[3-(18-oxononadecanoylamino)propoxy]ethoxy]ethoxy]propylamino]ethoxy]acetic acid
CID 122413582
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide?
The IUPAC name of N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide (CID 59567241) is N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide.
What is the SMILES notation for N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide?
The canonical SMILES for N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide is COCCC(COC)COCCCNC(=O)CCCC(=O)NCCCCCC(C)=O.
What is the InChIKey of N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide?
The InChIKey is VMTHLKYMPUUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O6/c1-19(25)9-5-4-6-13-23-21(26)10-7-11-22(27)24-14-8-15-30-18-20(17-29-3)12-16-28-2/h20H,4-18H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide?
N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide has a molecular weight of 430.59 g/mol, XLogP of 2.24, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-methoxy-2-(methoxymethyl)butoxy]propyl]-N-(6-oxoheptyl)pentanediamide is sourced from PubChem (CID 59567241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).