2-propylhexacosa-16,18,20-trienamide

C29H53NO — CID 173137662

IUPAC2-propylhexacosa-16,18,20-trienamide
SMILESCCCCCC=CC=CC=CCCCCCCCCCCCCCC(CCC)C(N)=O
InChIInChI=1S/C29H53NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28(26-4-2)29(30)31/h8-13,28H,3-7,14-27H2,1-2H3,(H2,30,31)
InChIKeyNTTVKFLXJJIMLX-UHFFFAOYSA-N
MW431.75 g/mol
LogP9.21
Rot. Bonds23

About 2-propylhexacosa-16,18,20-trienamide

2-propylhexacosa-16,18,20-trienamide (PubChem CID 173137662) has the molecular formula C29H53NO and a molecular weight of 431.75 g/mol. Its IUPAC name is 2-propylhexacosa-16,18,20-trienamide.

Molecular Properties

Compound Name2-propylhexacosa-16,18,20-trienamide
PubChem CID173137662
Molecular FormulaC29H53NO
Molecular Weight431.75 g/mol
Exact Mass431.41
IUPAC Name2-propylhexacosa-16,18,20-trienamide
SMILESCCCCCC=CC=CC=CCCCCCCCCCCCCCC(CCC)C(N)=O
InChIInChI=1S/C29H53NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28(26-4-2)29(30)31/h8-13,28H,3-7,14-27H2,1-2H3,(H2,30,31)
InChIKeyNTTVKFLXJJIMLX-UHFFFAOYSA-N
XLogP9.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
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CID 173011844
2-propylpentadec-12-enamide
CID 140789698
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-propylhexacosa-6,8,10,12,18-pentaenoic acid
CID 123541136
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-triacont-19-enylbutanediamide
CID 155758594

Frequently Asked Questions

What is the IUPAC name of 2-propylhexacosa-16,18,20-trienamide?
The IUPAC name of 2-propylhexacosa-16,18,20-trienamide (CID 173137662) is 2-propylhexacosa-16,18,20-trienamide.
What is the SMILES notation for 2-propylhexacosa-16,18,20-trienamide?
The canonical SMILES for 2-propylhexacosa-16,18,20-trienamide is CCCCCC=CC=CC=CCCCCCCCCCCCCCC(CCC)C(N)=O.
What is the InChIKey of 2-propylhexacosa-16,18,20-trienamide?
The InChIKey is NTTVKFLXJJIMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-28(26-4-2)29(30)31/h8-13,28H,3-7,14-27H2,1-2H3,(H2,30,31).
What are the key properties of 2-propylhexacosa-16,18,20-trienamide?
2-propylhexacosa-16,18,20-trienamide has a molecular weight of 431.75 g/mol, XLogP of 9.21, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhexacosa-16,18,20-trienamide is sourced from PubChem (CID 173137662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).