N,N'-bis(2,2-dimethoxyethyl)pentanediamide

C13H26N2O6 — CID 141334865

IUPACN,N'-bis(2,2-dimethoxyethyl)pentanediamide
SMILESCOC(CNC(=O)CCCC(=O)NCC(OC)OC)OC
InChIInChI=1S/C13H26N2O6/c1-18-12(19-2)8-14-10(16)6-5-7-11(17)15-9-13(20-3)21-4/h12-13H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZGDBZXOCOQSFIT-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.37
Rot. Bonds12

About N,N'-bis(2,2-dimethoxyethyl)pentanediamide

N,N'-bis(2,2-dimethoxyethyl)pentanediamide (PubChem CID 141334865) has the molecular formula C13H26N2O6 and a molecular weight of 306.36 g/mol. Its IUPAC name is N,N'-bis(2,2-dimethoxyethyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(2,2-dimethoxyethyl)pentanediamide
PubChem CID141334865
Molecular FormulaC13H26N2O6
Molecular Weight306.36 g/mol
Exact Mass306.18
IUPAC NameN,N'-bis(2,2-dimethoxyethyl)pentanediamide
SMILESCOC(CNC(=O)CCCC(=O)NCC(OC)OC)OC
InChIInChI=1S/C13H26N2O6/c1-18-12(19-2)8-14-10(16)6-5-7-11(17)15-9-13(20-3)21-4/h12-13H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyZGDBZXOCOQSFIT-UHFFFAOYSA-N
XLogP-0.37
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2-dimethoxyethyl)pentanediamide?
The IUPAC name of N,N'-bis(2,2-dimethoxyethyl)pentanediamide (CID 141334865) is N,N'-bis(2,2-dimethoxyethyl)pentanediamide.
What is the SMILES notation for N,N'-bis(2,2-dimethoxyethyl)pentanediamide?
The canonical SMILES for N,N'-bis(2,2-dimethoxyethyl)pentanediamide is COC(CNC(=O)CCCC(=O)NCC(OC)OC)OC.
What is the InChIKey of N,N'-bis(2,2-dimethoxyethyl)pentanediamide?
The InChIKey is ZGDBZXOCOQSFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O6/c1-18-12(19-2)8-14-10(16)6-5-7-11(17)15-9-13(20-3)21-4/h12-13H,5-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N,N'-bis(2,2-dimethoxyethyl)pentanediamide?
N,N'-bis(2,2-dimethoxyethyl)pentanediamide has a molecular weight of 306.36 g/mol, XLogP of -0.37, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2-dimethoxyethyl)pentanediamide is sourced from PubChem (CID 141334865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).