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

C17H33NO — CID 163098446

IUPACN-(2-methylbutyl)dodec-2-enamide
SMILESCCCCCCCCCC=CC(=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)
InChIKeyWQXMQVGEJLKXJG-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.85
Rot. Bonds12

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

N-(2-methylbutyl)dodec-2-enamide (PubChem CID 163098446) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-(2-methylbutyl)dodec-2-enamide.

Molecular Properties

Compound NameN-(2-methylbutyl)dodec-2-enamide
PubChem CID163098446
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-(2-methylbutyl)dodec-2-enamide
SMILESCCCCCCCCCC=CC(=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)
InChIKeyWQXMQVGEJLKXJG-UHFFFAOYSA-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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Related Compounds

N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide
CID 14259836
(E)-N-butyldec-2-enamide
CID 160628271
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)dodec-2-enamide?
The IUPAC name of N-(2-methylbutyl)dodec-2-enamide (CID 163098446) is N-(2-methylbutyl)dodec-2-enamide.
What is the SMILES notation for N-(2-methylbutyl)dodec-2-enamide?
The canonical SMILES for N-(2-methylbutyl)dodec-2-enamide is CCCCCCCCCC=CC(=O)NCC(C)CC.
What is the InChIKey of N-(2-methylbutyl)dodec-2-enamide?
The InChIKey is WQXMQVGEJLKXJG-UHFFFAOYSA-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).
What are the key properties of N-(2-methylbutyl)dodec-2-enamide?
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 N-(2-methylbutyl)dodec-2-enamide is sourced from PubChem (CID 163098446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).