(E)-N,2-di(propan-2-yl)hex-4-enamide

C12H23NO — CID 21366369

IUPAC(E)-N,2-di(propan-2-yl)hex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-6-7-8-11(9(2)3)12(14)13-10(4)5/h6-7,9-11H,8H2,1-5H3,(H,13,14)/b7-6+
InChIKeyBJBKQQOSPWSPNH-VOTSOKGWSA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds5

About (E)-N,2-di(propan-2-yl)hex-4-enamide

(E)-N,2-di(propan-2-yl)hex-4-enamide (PubChem CID 21366369) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N,2-di(propan-2-yl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N,2-di(propan-2-yl)hex-4-enamide
PubChem CID21366369
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N,2-di(propan-2-yl)hex-4-enamide
SMILESC/C=C/CC(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H23NO/c1-6-7-8-11(9(2)3)12(14)13-10(4)5/h6-7,9-11H,8H2,1-5H3,(H,13,14)/b7-6+
InChIKeyBJBKQQOSPWSPNH-VOTSOKGWSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,2-di(propan-2-yl)hex-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-di(propan-2-yl)hex-4-enamide?
The IUPAC name of (E)-N,2-di(propan-2-yl)hex-4-enamide (CID 21366369) is (E)-N,2-di(propan-2-yl)hex-4-enamide.
What is the SMILES notation for (E)-N,2-di(propan-2-yl)hex-4-enamide?
The canonical SMILES for (E)-N,2-di(propan-2-yl)hex-4-enamide is C/C=C/CC(C(=O)NC(C)C)C(C)C.
What is the InChIKey of (E)-N,2-di(propan-2-yl)hex-4-enamide?
The InChIKey is BJBKQQOSPWSPNH-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-8-11(9(2)3)12(14)13-10(4)5/h6-7,9-11H,8H2,1-5H3,(H,13,14)/b7-6+.
What are the key properties of (E)-N,2-di(propan-2-yl)hex-4-enamide?
(E)-N,2-di(propan-2-yl)hex-4-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-di(propan-2-yl)hex-4-enamide is sourced from PubChem (CID 21366369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).