N'-(2,2-dimethoxyethyl)pentanediamide

C9H18N2O4 — CID 151683220

IUPACN'-(2,2-dimethoxyethyl)pentanediamide
SMILESCOC(CNC(=O)CCCC(N)=O)OC
InChIInChI=1S/C9H18N2O4/c1-14-9(15-2)6-11-8(13)5-3-4-7(10)12/h9H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyRAZASLLYTZWGFK-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.62
Rot. Bonds8

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

N'-(2,2-dimethoxyethyl)pentanediamide (PubChem CID 151683220) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethyl)pentanediamide.

Molecular Properties

Compound NameN'-(2,2-dimethoxyethyl)pentanediamide
PubChem CID151683220
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN'-(2,2-dimethoxyethyl)pentanediamide
SMILESCOC(CNC(=O)CCCC(N)=O)OC
InChIInChI=1S/C9H18N2O4/c1-14-9(15-2)6-11-8(13)5-3-4-7(10)12/h9H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyRAZASLLYTZWGFK-UHFFFAOYSA-N
XLogP-0.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-(2,2-dimethoxyethyl)pentanediamide?
The IUPAC name of N'-(2,2-dimethoxyethyl)pentanediamide (CID 151683220) is N'-(2,2-dimethoxyethyl)pentanediamide.
What is the SMILES notation for N'-(2,2-dimethoxyethyl)pentanediamide?
The canonical SMILES for N'-(2,2-dimethoxyethyl)pentanediamide is COC(CNC(=O)CCCC(N)=O)OC.
What is the InChIKey of N'-(2,2-dimethoxyethyl)pentanediamide?
The InChIKey is RAZASLLYTZWGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-14-9(15-2)6-11-8(13)5-3-4-7(10)12/h9H,3-6H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of N'-(2,2-dimethoxyethyl)pentanediamide?
N'-(2,2-dimethoxyethyl)pentanediamide has a molecular weight of 218.25 g/mol, XLogP of -0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethoxyethyl)pentanediamide is sourced from PubChem (CID 151683220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).