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

C16H31NO — CID 14188011

IUPAC(E)-N-(2-methylpropyl)dodec-2-enamide
SMILESCCCCCCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,4-11,14H2,1-3H3,(H,17,18)/b13-12+
InChIKeyGNJWFARVIURMAW-OUKQBFOZSA-N
MW253.43 g/mol
LogP4.46
Rot. Bonds11

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

(E)-N-(2-methylpropyl)dodec-2-enamide (PubChem CID 14188011) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)dodec-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)dodec-2-enamide
PubChem CID14188011
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(E)-N-(2-methylpropyl)dodec-2-enamide
SMILESCCCCCCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,4-11,14H2,1-3H3,(H,17,18)/b13-12+
InChIKeyGNJWFARVIURMAW-OUKQBFOZSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.46
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-methylpropyl)dodec-2-enamide?
The IUPAC name of (E)-N-(2-methylpropyl)dodec-2-enamide (CID 14188011) is (E)-N-(2-methylpropyl)dodec-2-enamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)dodec-2-enamide?
The canonical SMILES for (E)-N-(2-methylpropyl)dodec-2-enamide is CCCCCCCCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)dodec-2-enamide?
The InChIKey is GNJWFARVIURMAW-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,4-11,14H2,1-3H3,(H,17,18)/b13-12+.
What are the key properties of (E)-N-(2-methylpropyl)dodec-2-enamide?
(E)-N-(2-methylpropyl)dodec-2-enamide has a molecular weight of 253.43 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)dodec-2-enamide is sourced from PubChem (CID 14188011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).