N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide

C18H28N2O2 — CID 119035220

IUPACN,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide
SMILESCC(C(=O)NC1C=CCCC1)C(C)C(=O)NC1C=CCCC1
InChIInChI=1S/C18H28N2O2/c1-13(17(21)19-15-9-5-3-6-10-15)14(2)18(22)20-16-11-7-4-8-12-16/h5,7,9,11,13-16H,3-4,6,8,10,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUCVYEZNIQOEJSE-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds5

About N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide

N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide (PubChem CID 119035220) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide.

Molecular Properties

Compound NameN,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide
PubChem CID119035220
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide
SMILESCC(C(=O)NC1C=CCCC1)C(C)C(=O)NC1C=CCCC1
InChIInChI=1S/C18H28N2O2/c1-13(17(21)19-15-9-5-3-6-10-15)14(2)18(22)20-16-11-7-4-8-12-16/h5,7,9,11,13-16H,3-4,6,8,10,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUCVYEZNIQOEJSE-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide?
The IUPAC name of N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide (CID 119035220) is N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide.
What is the SMILES notation for N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide?
The canonical SMILES for N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide is CC(C(=O)NC1C=CCCC1)C(C)C(=O)NC1C=CCCC1.
What is the InChIKey of N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide?
The InChIKey is UCVYEZNIQOEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(17(21)19-15-9-5-3-6-10-15)14(2)18(22)20-16-11-7-4-8-12-16/h5,7,9,11,13-16H,3-4,6,8,10,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide?
N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide has a molecular weight of 304.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide is sourced from PubChem (CID 119035220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).