N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide

C23H36N4O4 — CID 20631225

IUPACN,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide
SMILESCC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)CC(=O)NC#N)CC(=O)NC#N
InChIInChI=1S/C23H36N4O4/c1-22(2,14-20(30)26-16-24)12-6-10-18(28)8-5-9-19(29)11-7-13-23(3,4)15-21(31)27-17-25/h5-15H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyOMSNFLBHTFAJEZ-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.66
Rot. Bonds16

About N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide

N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide (PubChem CID 20631225) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide.

Molecular Properties

Compound NameN,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide
PubChem CID20631225
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC NameN,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide
SMILESCC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)CC(=O)NC#N)CC(=O)NC#N
InChIInChI=1S/C23H36N4O4/c1-22(2,14-20(30)26-16-24)12-6-10-18(28)8-5-9-19(29)11-7-13-23(3,4)15-21(31)27-17-25/h5-15H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyOMSNFLBHTFAJEZ-UHFFFAOYSA-N
XLogP3.66
TPSA139.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide?
The IUPAC name of N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide (CID 20631225) is N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide.
What is the SMILES notation for N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide?
The canonical SMILES for N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide is CC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)CC(=O)NC#N)CC(=O)NC#N.
What is the InChIKey of N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide?
The InChIKey is OMSNFLBHTFAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-22(2,14-20(30)26-16-24)12-6-10-18(28)8-5-9-19(29)11-7-13-23(3,4)15-21(31)27-17-25/h5-15H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide?
N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide has a molecular weight of 432.57 g/mol, XLogP of 3.66, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyano-3,3,15,15-tetramethyl-7,11-dioxoheptadecanediamide is sourced from PubChem (CID 20631225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).