N-(2-methylbut-3-yn-2-yl)dodecanamide

C17H31NO — CID 65426604

IUPACN-(2-methylbut-3-yn-2-yl)dodecanamide
SMILESC#CC(C)(C)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C17H31NO/c1-5-7-8-9-10-11-12-13-14-15-16(19)18-17(3,4)6-2/h2H,5,7-15H2,1,3-4H3,(H,18,19)
InChIKeyYOUUGUJSIXXLJR-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.44
Rot. Bonds11

About N-(2-methylbut-3-yn-2-yl)dodecanamide

N-(2-methylbut-3-yn-2-yl)dodecanamide (PubChem CID 65426604) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)dodecanamide
PubChem CID65426604
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-methylbut-3-yn-2-yl)dodecanamide
SMILESC#CC(C)(C)NC(=O)CCCCCCCCCCC
InChIInChI=1S/C17H31NO/c1-5-7-8-9-10-11-12-13-14-15-16(19)18-17(3,4)6-2/h2H,5,7-15H2,1,3-4H3,(H,18,19)
InChIKeyYOUUGUJSIXXLJR-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylbut-3-yn-2-yl)dodecanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
N-(2-cyanopropan-2-yl)pentanamide
CID 60966959
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
N-(1-bromo-2-methylbutan-2-yl)nonanamide
CID 114314390
N-[2-(ethylamino)butan-2-yl]icosanamide
CID 158301838
carbanide;N-(2-methylbutan-2-yl)hexadecanamide;osmium(2+)
CID 162756448
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)dodecanamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)dodecanamide (CID 65426604) is N-(2-methylbut-3-yn-2-yl)dodecanamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)dodecanamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)dodecanamide is C#CC(C)(C)NC(=O)CCCCCCCCCCC.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)dodecanamide?
The InChIKey is YOUUGUJSIXXLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-7-8-9-10-11-12-13-14-15-16(19)18-17(3,4)6-2/h2H,5,7-15H2,1,3-4H3,(H,18,19).
What are the key properties of N-(2-methylbut-3-yn-2-yl)dodecanamide?
N-(2-methylbut-3-yn-2-yl)dodecanamide has a molecular weight of 265.44 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)dodecanamide is sourced from PubChem (CID 65426604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).