N-(1-adamantyl)hex-5-enamide

C16H25NO — CID 158950018

IUPACN-(1-adamantyl)hex-5-enamide
SMILESC=CCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c1-2-3-4-5-15(18)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h2,12-14H,1,3-11H2,(H,17,18)
InChIKeyZXTGQOWHXWYQLC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds5

About N-(1-adamantyl)hex-5-enamide

N-(1-adamantyl)hex-5-enamide (PubChem CID 158950018) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(1-adamantyl)hex-5-enamide.

Molecular Properties

Compound NameN-(1-adamantyl)hex-5-enamide
PubChem CID158950018
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(1-adamantyl)hex-5-enamide
SMILESC=CCCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c1-2-3-4-5-15(18)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h2,12-14H,1,3-11H2,(H,17,18)
InChIKeyZXTGQOWHXWYQLC-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-adamantyl)-3,7-dimethyloct-6-enamide
CID 162655498
Icosa-5,8,11,14-tetraenoic acid adamantan-1-ylamide
CID 44589228
N-(adamantan-1-yl)-2,2-difluoro-5-methyl-4-methylenehexanamide
CID 168720292
(5z,9z)-N-(3,5-dimethyladamantan-1-yl)eicosa-5,9dienamide
CID 176507450
N-(1-adamantyl)cyclohex-3-ene-1-carboxamide
CID 17534531
N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42892966
(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide
CID 121246415
N-(1-adamantyl)-4-methylhex-3-enamide
CID 154388548
1-N,4-N-bis(1-adamantyl)cyclohex-2-ene-1,4-dicarboxamide
CID 171722494
N-(1-adamantyl)-2-cyclopent-2-en-1-ylacetamide
CID 18196496
cis-(1R,3R)-N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 40076609
trans-(1R,3S)-N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 40076610

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)hex-5-enamide?
The IUPAC name of N-(1-adamantyl)hex-5-enamide (CID 158950018) is N-(1-adamantyl)hex-5-enamide.
What is the SMILES notation for N-(1-adamantyl)hex-5-enamide?
The canonical SMILES for N-(1-adamantyl)hex-5-enamide is C=CCCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)hex-5-enamide?
The InChIKey is ZXTGQOWHXWYQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-4-5-15(18)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h2,12-14H,1,3-11H2,(H,17,18).
What are the key properties of N-(1-adamantyl)hex-5-enamide?
N-(1-adamantyl)hex-5-enamide has a molecular weight of 247.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)hex-5-enamide is sourced from PubChem (CID 158950018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).