3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide

C12H23NO — CID 123303726

IUPAC3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide
SMILESCCCC(C)=CC(=O)NC(C)(C)CC
InChIInChI=1S/C12H23NO/c1-6-8-10(3)9-11(14)13-12(4,5)7-2/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyVGKBJKVTAAPRIE-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.04
Rot. Bonds5

About 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide

3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide (PubChem CID 123303726) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide
PubChem CID123303726
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide
SMILESCCCC(C)=CC(=O)NC(C)(C)CC
InChIInChI=1S/C12H23NO/c1-6-8-10(3)9-11(14)13-12(4,5)7-2/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyVGKBJKVTAAPRIE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide?
The IUPAC name of 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide (CID 123303726) is 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide.
What is the SMILES notation for 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide?
The canonical SMILES for 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide is CCCC(C)=CC(=O)NC(C)(C)CC.
What is the InChIKey of 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide?
The InChIKey is VGKBJKVTAAPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-8-10(3)9-11(14)13-12(4,5)7-2/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide?
3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbutan-2-yl)hex-2-enamide is sourced from PubChem (CID 123303726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).