N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide

C42H81N3O3 — CID 159955507

IUPACN,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide
SMILESC=CCCCCCCCC(=O)N(C)C.CC/C=C/CCCCCCCC(=O)N(C)C.CCCC/C=C/CCCCCCCC(=O)N(C)C
InChIInChI=1S/C16H31NO.C14H27NO.C12H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3;1-4-5-6-7-8-9-10-11-12(14)13(2)3/h7-8H,4-6,9-15H2,1-3H3;5-6H,4,7-13H2,1-3H3;4H,1,5-11H2,2-3H3/b8-7+;6-5+;
InChIKeyOCQXGKJDDSXMCI-LUTKJZFRSA-N
MW676.13 g/mol
LogP11.31
Rot. Bonds28

About N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide

N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide (PubChem CID 159955507) has the molecular formula C42H81N3O3 and a molecular weight of 676.13 g/mol. Its IUPAC name is N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide.

Molecular Properties

Compound NameN,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide
PubChem CID159955507
Molecular FormulaC42H81N3O3
Molecular Weight676.13 g/mol
Exact Mass675.63
IUPAC NameN,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide
SMILESC=CCCCCCCCC(=O)N(C)C.CC/C=C/CCCCCCCC(=O)N(C)C.CCCC/C=C/CCCCCCCC(=O)N(C)C
InChIInChI=1S/C16H31NO.C14H27NO.C12H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3;1-4-5-6-7-8-9-10-11-12(14)13(2)3/h7-8H,4-6,9-15H2,1-3H3;5-6H,4,7-13H2,1-3H3;4H,1,5-11H2,2-3H3/b8-7+;6-5+;
InChIKeyOCQXGKJDDSXMCI-LUTKJZFRSA-N
XLogP11.31
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.13
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylnon-6-enamide
CID 76781952
(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
(E)-N,N-dimethyldec-4-enamide
CID 13308680
trideca-1,10-diene
CID 54351837
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
(Z)-dodec-8-enoic acid;(Z)-dodec-9-enoic acid;(Z)-dodec-10-enoic acid;dodec-11-enoic acid
CID 158275226
hexadec-6-ene;hex-1-ene
CID 158850904
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide?
The IUPAC name of N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide (CID 159955507) is N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide.
What is the SMILES notation for N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide?
The canonical SMILES for N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide is C=CCCCCCCCC(=O)N(C)C.CC/C=C/CCCCCCCC(=O)N(C)C.CCCC/C=C/CCCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide?
The InChIKey is OCQXGKJDDSXMCI-LUTKJZFRSA-N. The full InChI is InChI=1S/C16H31NO.C14H27NO.C12H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3;1-4-5-6-7-8-9-10-11-12(14)13(2)3/h7-8H,4-6,9-15H2,1-3H3;5-6H,4,7-13H2,1-3H3;4H,1,5-11H2,2-3H3/b8-7+;6-5+;.
What are the key properties of N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide?
N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide has a molecular weight of 676.13 g/mol, XLogP of 11.31, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide is sourced from PubChem (CID 159955507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).