(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide

C15H27NO — CID 38347217

IUPAC(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NC[C@H](C)CC
InChIInChI=1S/C15H27NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h9-12,14H,4-8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+/t14-/m1/s1
InChIKeyDNFXVYXFGYXVTF-HVMMISARSA-N
MW237.39 g/mol
LogP3.84
Rot. Bonds9

About (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide

(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide (PubChem CID 38347217) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
PubChem CID38347217
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
SMILESCCCCC/C=C/C=C/C(=O)NC[C@H](C)CC
InChIInChI=1S/C15H27NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h9-12,14H,4-8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+/t14-/m1/s1
InChIKeyDNFXVYXFGYXVTF-HVMMISARSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.84
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'}

Analyze (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide with MolForge

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Related Compounds

N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762
(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)-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,4Z,6E,8Z)-N-(2-hydroxyethyl)-17-methyldocosa-2,4,6,8-tetraenamide
CID 21158641
(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide (CID 38347217) is (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NC[C@H](C)CC.
What is the InChIKey of (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide?
The InChIKey is DNFXVYXFGYXVTF-HVMMISARSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-6-7-8-9-10-11-12-15(17)16-13-14(3)5-2/h9-12,14H,4-8,13H2,1-3H3,(H,16,17)/b10-9+,12-11+/t14-/m1/s1.
What are the key properties of (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide?
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide has a molecular weight of 237.39 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide is sourced from PubChem (CID 38347217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).