N,N'-diethylnonanediamide

C13H26N2O2 — CID 89048639

IUPACN,N'-diethylnonanediamide
SMILESCCNC(=O)CCCCCCCC(=O)NCC
InChIInChI=1S/C13H26N2O2/c1-3-14-12(16)10-8-6-5-7-9-11-13(17)15-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFUAVPNJFIZQQKC-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.99
Rot. Bonds10

About N,N'-diethylnonanediamide

N,N'-diethylnonanediamide (PubChem CID 89048639) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,N'-diethylnonanediamide.

Molecular Properties

Compound NameN,N'-diethylnonanediamide
PubChem CID89048639
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,N'-diethylnonanediamide
SMILESCCNC(=O)CCCCCCCC(=O)NCC
InChIInChI=1S/C13H26N2O2/c1-3-14-12(16)10-8-6-5-7-9-11-13(17)15-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFUAVPNJFIZQQKC-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N'-ethylnonanediamide
CID 18377762
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N'-ethyldodecanediamide
CID 175230920
N-ethyloctadecanamide;octadecanamide
CID 159879248
5-acetamido-N-ethylpentanamide
CID 145189248
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
N-ethyl-5-oxopentanamide
CID 54062498
N-ethyl-11-[methoxy(dimethyl)silyl]undecanamide
CID 59782510
N,N'-dipropyldecanediamide
CID 102239298
N-ethyl-N'-(2-oxoethyl)pentanediamide
CID 138599289

Frequently Asked Questions

What is the IUPAC name of N,N'-diethylnonanediamide?
The IUPAC name of N,N'-diethylnonanediamide (CID 89048639) is N,N'-diethylnonanediamide.
What is the SMILES notation for N,N'-diethylnonanediamide?
The canonical SMILES for N,N'-diethylnonanediamide is CCNC(=O)CCCCCCCC(=O)NCC.
What is the InChIKey of N,N'-diethylnonanediamide?
The InChIKey is FUAVPNJFIZQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14-12(16)10-8-6-5-7-9-11-13(17)15-4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N,N'-diethylnonanediamide?
N,N'-diethylnonanediamide has a molecular weight of 242.36 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethylnonanediamide is sourced from PubChem (CID 89048639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).