N-(2-methylpropyl)dodec-2-en-8,10-diynamide

C16H23NO — CID 73030614

IUPACN-(2-methylpropyl)dodec-2-en-8,10-diynamide
SMILESCC#CC#CCCCCC=CC(=O)NCC(C)C
InChIInChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18)
InChIKeyRYVZYACBVYKUHD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds7

About N-(2-methylpropyl)dodec-2-en-8,10-diynamide

N-(2-methylpropyl)dodec-2-en-8,10-diynamide (PubChem CID 73030614) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-methylpropyl)dodec-2-en-8,10-diynamide.

Molecular Properties

Compound NameN-(2-methylpropyl)dodec-2-en-8,10-diynamide
PubChem CID73030614
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2-methylpropyl)dodec-2-en-8,10-diynamide
SMILESCC#CC#CCCCCC=CC(=O)NCC(C)C
InChIInChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18)
InChIKeyRYVZYACBVYKUHD-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
The IUPAC name of N-(2-methylpropyl)dodec-2-en-8,10-diynamide (CID 73030614) is N-(2-methylpropyl)dodec-2-en-8,10-diynamide.
What is the SMILES notation for N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
The canonical SMILES for N-(2-methylpropyl)dodec-2-en-8,10-diynamide is CC#CC#CCCCCC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
The InChIKey is RYVZYACBVYKUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h12-13,15H,8-11,14H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)dodec-2-en-8,10-diynamide?
N-(2-methylpropyl)dodec-2-en-8,10-diynamide has a molecular weight of 245.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)dodec-2-en-8,10-diynamide is sourced from PubChem (CID 73030614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).