N,N'-dimethoxy-N,N'-dimethylpentanediamide

C9H18N2O4 — CID 101061124

IUPACN,N'-dimethoxy-N,N'-dimethylpentanediamide
SMILESCON(C)C(=O)CCCC(=O)N(C)OC
InChIInChI=1S/C9H18N2O4/c1-10(14-3)8(12)6-5-7-9(13)11(2)15-4/h5-7H2,1-4H3
InChIKeyQNKWEGSBMBYVPQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.20
Rot. Bonds6

About N,N'-dimethoxy-N,N'-dimethylpentanediamide

N,N'-dimethoxy-N,N'-dimethylpentanediamide (PubChem CID 101061124) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N,N'-dimethoxy-N,N'-dimethylpentanediamide.

Molecular Properties

Compound NameN,N'-dimethoxy-N,N'-dimethylpentanediamide
PubChem CID101061124
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN,N'-dimethoxy-N,N'-dimethylpentanediamide
SMILESCON(C)C(=O)CCCC(=O)N(C)OC
InChIInChI=1S/C9H18N2O4/c1-10(14-3)8(12)6-5-7-9(13)11(2)15-4/h5-7H2,1-4H3
InChIKeyQNKWEGSBMBYVPQ-UHFFFAOYSA-N
XLogP0.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethoxy-N,N'-dimethylpentanediamide?
The IUPAC name of N,N'-dimethoxy-N,N'-dimethylpentanediamide (CID 101061124) is N,N'-dimethoxy-N,N'-dimethylpentanediamide.
What is the SMILES notation for N,N'-dimethoxy-N,N'-dimethylpentanediamide?
The canonical SMILES for N,N'-dimethoxy-N,N'-dimethylpentanediamide is CON(C)C(=O)CCCC(=O)N(C)OC.
What is the InChIKey of N,N'-dimethoxy-N,N'-dimethylpentanediamide?
The InChIKey is QNKWEGSBMBYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-10(14-3)8(12)6-5-7-9(13)11(2)15-4/h5-7H2,1-4H3.
What are the key properties of N,N'-dimethoxy-N,N'-dimethylpentanediamide?
N,N'-dimethoxy-N,N'-dimethylpentanediamide has a molecular weight of 218.25 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethoxy-N,N'-dimethylpentanediamide is sourced from PubChem (CID 101061124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).