N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide

C18H35NO — CID 76513263

IUPACN-(2,4,4-trimethylpentan-2-yl)dec-2-enamide
SMILESCCCCCCCC=CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H35NO/c1-7-8-9-10-11-12-13-14-16(20)19-18(5,6)15-17(2,3)4/h13-14H,7-12,15H2,1-6H3,(H,19,20)
InChIKeyQSNKLTJTRLMKLN-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.23
Rot. Bonds9

About N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide

N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide (PubChem CID 76513263) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)dec-2-enamide
PubChem CID76513263
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)dec-2-enamide
SMILESCCCCCCCC=CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H35NO/c1-7-8-9-10-11-12-13-14-16(20)19-18(5,6)15-17(2,3)4/h13-14H,7-12,15H2,1-6H3,(H,19,20)
InChIKeyQSNKLTJTRLMKLN-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide (CID 76513263) is N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide is CCCCCCCC=CC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
The InChIKey is QSNKLTJTRLMKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-7-8-9-10-11-12-13-14-16(20)19-18(5,6)15-17(2,3)4/h13-14H,7-12,15H2,1-6H3,(H,19,20).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide has a molecular weight of 281.48 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide is sourced from PubChem (CID 76513263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).