N-(2-methylpropyl)dodeca-2,8-dienamide

C16H29NO — CID 78385027

IUPACN-(2-methylpropyl)dodeca-2,8-dienamide
SMILESCCCC=CCCCCC=CC(=O)NCC(C)C
InChIInChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)
InChIKeyJNPRQUIWDVDHIT-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.23
Rot. Bonds10

About N-(2-methylpropyl)dodeca-2,8-dienamide

N-(2-methylpropyl)dodeca-2,8-dienamide (PubChem CID 78385027) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(2-methylpropyl)dodeca-2,8-dienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)dodeca-2,8-dienamide
PubChem CID78385027
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(2-methylpropyl)dodeca-2,8-dienamide
SMILESCCCC=CCCCCC=CC(=O)NCC(C)C
InChIInChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18)
InChIKeyJNPRQUIWDVDHIT-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
N-(2-methylbutyl)dodec-2-enamide
CID 163098446
(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
CID 14259841
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
N-propylhex-2-enamide
CID 88538823

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)dodeca-2,8-dienamide?
The IUPAC name of N-(2-methylpropyl)dodeca-2,8-dienamide (CID 78385027) is N-(2-methylpropyl)dodeca-2,8-dienamide.
What is the SMILES notation for N-(2-methylpropyl)dodeca-2,8-dienamide?
The canonical SMILES for N-(2-methylpropyl)dodeca-2,8-dienamide is CCCC=CCCCCC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)dodeca-2,8-dienamide?
The InChIKey is JNPRQUIWDVDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)dodeca-2,8-dienamide?
N-(2-methylpropyl)dodeca-2,8-dienamide has a molecular weight of 251.41 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)dodeca-2,8-dienamide is sourced from PubChem (CID 78385027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).