N-(2-methylbutyl)dodeca-2,4-dienamide

C17H31NO — CID 162868762

IUPACN-(2-methylbutyl)dodeca-2,4-dienamide
SMILESCCCCCCCC=CC=CC(=O)NCC(C)CC
InChIInChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,4-10,15H2,1-3H3,(H,18,19)
InChIKeyOFOZQDMSBJOEHH-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.62
Rot. Bonds11

About N-(2-methylbutyl)dodeca-2,4-dienamide

N-(2-methylbutyl)dodeca-2,4-dienamide (PubChem CID 162868762) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-methylbutyl)dodeca-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylbutyl)dodeca-2,4-dienamide
PubChem CID162868762
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-methylbutyl)dodeca-2,4-dienamide
SMILESCCCCCCCC=CC=CC(=O)NCC(C)CC
InChIInChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,4-10,15H2,1-3H3,(H,18,19)
InChIKeyOFOZQDMSBJOEHH-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.62
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
N-(2-methylbutyl)dodec-2-enamide
CID 163098446
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
(2E,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide
CID 21158641
N-methyltetradeca-2,4-dienamide
CID 123476396
N-methylhexadeca-2,4-dienamide
CID 123429480
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)dodeca-2,4-dienamide?
The IUPAC name of N-(2-methylbutyl)dodeca-2,4-dienamide (CID 162868762) is N-(2-methylbutyl)dodeca-2,4-dienamide.
What is the SMILES notation for N-(2-methylbutyl)dodeca-2,4-dienamide?
The canonical SMILES for N-(2-methylbutyl)dodeca-2,4-dienamide is CCCCCCCC=CC=CC(=O)NCC(C)CC.
What is the InChIKey of N-(2-methylbutyl)dodeca-2,4-dienamide?
The InChIKey is OFOZQDMSBJOEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,4-10,15H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methylbutyl)dodeca-2,4-dienamide?
N-(2-methylbutyl)dodeca-2,4-dienamide has a molecular weight of 265.44 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)dodeca-2,4-dienamide is sourced from PubChem (CID 162868762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).