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

C11H22N2O4 — CID 2165605

IUPACN,N'-bis(2-methoxyethyl)pentanediamide
SMILESCOCCNC(=O)CCCC(=O)NCCOC
InChIInChI=1S/C11H22N2O4/c1-16-8-6-12-10(14)4-3-5-11(15)13-7-9-17-2/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyPOUVOPGHZOZNHP-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.32
Rot. Bonds10

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

N,N'-bis(2-methoxyethyl)pentanediamide (PubChem CID 2165605) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N'-bis(2-methoxyethyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methoxyethyl)pentanediamide
PubChem CID2165605
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN,N'-bis(2-methoxyethyl)pentanediamide
SMILESCOCCNC(=O)CCCC(=O)NCCOC
InChIInChI=1S/C11H22N2O4/c1-16-8-6-12-10(14)4-3-5-11(15)13-7-9-17-2/h3-9H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyPOUVOPGHZOZNHP-UHFFFAOYSA-N
XLogP-0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methoxyethyl)pentanediamide?
The IUPAC name of N,N'-bis(2-methoxyethyl)pentanediamide (CID 2165605) is N,N'-bis(2-methoxyethyl)pentanediamide.
What is the SMILES notation for N,N'-bis(2-methoxyethyl)pentanediamide?
The canonical SMILES for N,N'-bis(2-methoxyethyl)pentanediamide is COCCNC(=O)CCCC(=O)NCCOC.
What is the InChIKey of N,N'-bis(2-methoxyethyl)pentanediamide?
The InChIKey is POUVOPGHZOZNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-16-8-6-12-10(14)4-3-5-11(15)13-7-9-17-2/h3-9H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N,N'-bis(2-methoxyethyl)pentanediamide?
N,N'-bis(2-methoxyethyl)pentanediamide has a molecular weight of 246.31 g/mol, XLogP of -0.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methoxyethyl)pentanediamide is sourced from PubChem (CID 2165605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).