N-(2-methylpropyl)trideca-2,4,12-trienamide

C17H29NO — CID 87901236

IUPACN-(2-methylpropyl)trideca-2,4,12-trienamide
SMILESC=CCCCCCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h4,11-14,16H,1,5-10,15H2,2-3H3,(H,18,19)
InChIKeyHVPYTURTWHZGJP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.40
Rot. Bonds11

About N-(2-methylpropyl)trideca-2,4,12-trienamide

N-(2-methylpropyl)trideca-2,4,12-trienamide (PubChem CID 87901236) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(2-methylpropyl)trideca-2,4,12-trienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)trideca-2,4,12-trienamide
PubChem CID87901236
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-(2-methylpropyl)trideca-2,4,12-trienamide
SMILESC=CCCCCCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h4,11-14,16H,1,5-10,15H2,2-3H3,(H,18,19)
InChIKeyHVPYTURTWHZGJP-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.40
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(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
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)trideca-2,4,12-trienamide?
The IUPAC name of N-(2-methylpropyl)trideca-2,4,12-trienamide (CID 87901236) is N-(2-methylpropyl)trideca-2,4,12-trienamide.
What is the SMILES notation for N-(2-methylpropyl)trideca-2,4,12-trienamide?
The canonical SMILES for N-(2-methylpropyl)trideca-2,4,12-trienamide is C=CCCCCCCC=CC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)trideca-2,4,12-trienamide?
The InChIKey is HVPYTURTWHZGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h4,11-14,16H,1,5-10,15H2,2-3H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)trideca-2,4,12-trienamide?
N-(2-methylpropyl)trideca-2,4,12-trienamide has a molecular weight of 263.43 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)trideca-2,4,12-trienamide is sourced from PubChem (CID 87901236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).