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

C18H35NO — CID 57331720

IUPAC(E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide
SMILESCCCCCCC/C=C/C(=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)/b14-13+
InChIKeyQSNKLTJTRLMKLN-BUHFOSPRSA-N
MW281.48 g/mol
LogP5.23
Rot. Bonds9

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

(E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide (PubChem CID 57331720) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide
PubChem CID57331720
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide
SMILESCCCCCCC/C=C/C(=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)/b14-13+
InChIKeyQSNKLTJTRLMKLN-BUHFOSPRSA-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 (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
The IUPAC name of (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide (CID 57331720) is (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide.
What is the SMILES notation for (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
The canonical SMILES for (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide is CCCCCCC/C=C/C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
The InChIKey is QSNKLTJTRLMKLN-BUHFOSPRSA-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)/b14-13+.
What are the key properties of (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide?
(E)-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 (E)-N-(2,4,4-trimethylpentan-2-yl)dec-2-enamide is sourced from PubChem (CID 57331720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).