(E)-N-(2-methylbutyl)dodec-2-enamide

C17H33NO — CID 122184886

IUPAC(E)-N-(2-methylbutyl)dodec-2-enamide
SMILESCCCCCCCCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C17H33NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,4-12,15H2,1-3H3,(H,18,19)/b14-13+
InChIKeyWQXMQVGEJLKXJG-BUHFOSPRSA-N
MW267.46 g/mol
LogP4.85
Rot. Bonds12

About (E)-N-(2-methylbutyl)dodec-2-enamide

(E)-N-(2-methylbutyl)dodec-2-enamide (PubChem CID 122184886) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (E)-N-(2-methylbutyl)dodec-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylbutyl)dodec-2-enamide
PubChem CID122184886
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(E)-N-(2-methylbutyl)dodec-2-enamide
SMILESCCCCCCCCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C17H33NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,4-12,15H2,1-3H3,(H,18,19)/b14-13+
InChIKeyWQXMQVGEJLKXJG-BUHFOSPRSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.85
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-methylbutyl)dodec-2-enamide?
The IUPAC name of (E)-N-(2-methylbutyl)dodec-2-enamide (CID 122184886) is (E)-N-(2-methylbutyl)dodec-2-enamide.
What is the SMILES notation for (E)-N-(2-methylbutyl)dodec-2-enamide?
The canonical SMILES for (E)-N-(2-methylbutyl)dodec-2-enamide is CCCCCCCCC/C=C/C(=O)NCC(C)CC.
What is the InChIKey of (E)-N-(2-methylbutyl)dodec-2-enamide?
The InChIKey is WQXMQVGEJLKXJG-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h13-14,16H,4-12,15H2,1-3H3,(H,18,19)/b14-13+.
What are the key properties of (E)-N-(2-methylbutyl)dodec-2-enamide?
(E)-N-(2-methylbutyl)dodec-2-enamide has a molecular weight of 267.46 g/mol, XLogP of 4.85, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylbutyl)dodec-2-enamide is sourced from PubChem (CID 122184886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).