(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide

C18H27NO — CID 149163052

IUPAC(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
SMILESCCCC=CC=CC=CC=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h6-15,17H,4-5,16H2,1-3H3,(H,19,20)/b7-6?,9-8?,11-10?,13-12?,15-14+
InChIKeyRLUSVEUKUGNTSM-DUFXCVIVSA-N
MW273.42 g/mol
LogP4.34
Rot. Bonds9

About (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide

(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide (PubChem CID 149163052) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide.

Molecular Properties

Compound Name(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
PubChem CID149163052
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
SMILESCCCC=CC=CC=CC=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h6-15,17H,4-5,16H2,1-3H3,(H,19,20)/b7-6?,9-8?,11-10?,13-12?,15-14+
InChIKeyRLUSVEUKUGNTSM-DUFXCVIVSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(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,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
CID 163037919
(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-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide?
The IUPAC name of (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide (CID 149163052) is (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide.
What is the SMILES notation for (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide?
The canonical SMILES for (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide is CCCC=CC=CC=CC=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide?
The InChIKey is RLUSVEUKUGNTSM-DUFXCVIVSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h6-15,17H,4-5,16H2,1-3H3,(H,19,20)/b7-6?,9-8?,11-10?,13-12?,15-14+.
What are the key properties of (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide?
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide has a molecular weight of 273.42 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide is sourced from PubChem (CID 149163052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).