N-(1-adamantyl)-4-methylhex-3-enamide

C17H27NO — CID 154388548

IUPACN-(1-adamantyl)-4-methylhex-3-enamide
SMILESCCC(C)=CCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c1-3-12(2)4-5-16(19)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h4,13-15H,3,5-11H2,1-2H3,(H,18,19)
InChIKeyUYBYMWLLFLYVCE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.82
Rot. Bonds4

About N-(1-adamantyl)-4-methylhex-3-enamide

N-(1-adamantyl)-4-methylhex-3-enamide (PubChem CID 154388548) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(1-adamantyl)-4-methylhex-3-enamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-methylhex-3-enamide
PubChem CID154388548
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(1-adamantyl)-4-methylhex-3-enamide
SMILESCCC(C)=CCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c1-3-12(2)4-5-16(19)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h4,13-15H,3,5-11H2,1-2H3,(H,18,19)
InChIKeyUYBYMWLLFLYVCE-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(1-adamantyl)-4-methylhex-3-enamide?
The IUPAC name of N-(1-adamantyl)-4-methylhex-3-enamide (CID 154388548) is N-(1-adamantyl)-4-methylhex-3-enamide.
What is the SMILES notation for N-(1-adamantyl)-4-methylhex-3-enamide?
The canonical SMILES for N-(1-adamantyl)-4-methylhex-3-enamide is CCC(C)=CCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-methylhex-3-enamide?
The InChIKey is UYBYMWLLFLYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12(2)4-5-16(19)18-17-9-13-6-14(10-17)8-15(7-13)11-17/h4,13-15H,3,5-11H2,1-2H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-4-methylhex-3-enamide?
N-(1-adamantyl)-4-methylhex-3-enamide has a molecular weight of 261.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-methylhex-3-enamide is sourced from PubChem (CID 154388548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).