(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide

C15H25NO — CID 10105497

IUPAC(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide
SMILESC/C=C/CC(/C=C/C(=O)NCCC)C/C=C/C
InChIInChI=1S/C15H25NO/c1-4-7-9-14(10-8-5-2)11-12-15(17)16-13-6-3/h4-5,7-8,11-12,14H,6,9-10,13H2,1-3H3,(H,16,17)/b7-4+,8-5+,12-11+
InChIKeyBCZWSRFXXMDBIR-CVSJIUGSSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds8

About (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide

(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide (PubChem CID 10105497) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide
PubChem CID10105497
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide
SMILESC/C=C/CC(/C=C/C(=O)NCCC)C/C=C/C
InChIInChI=1S/C15H25NO/c1-4-7-9-14(10-8-5-2)11-12-15(17)16-13-6-3/h4-5,7-8,11-12,14H,6,9-10,13H2,1-3H3,(H,16,17)/b7-4+,8-5+,12-11+
InChIKeyBCZWSRFXXMDBIR-CVSJIUGSSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propylhex-2-enamide
CID 88538823
(E)-N-butyl-4-hydroxypent-2-enamide
CID 15354770
methyl N-[4-oxo-4-(propylamino)but-2-enoyl]carbamate
CID 58159323
butan-2-yl (Z)-4-oxo-4-(propylamino)but-2-enoate
CID 139690830
(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide
CID 144808712
(E)-N-(3,3-dimethylbutyl)but-2-enamide
CID 115580737
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
4-phenyl-N-propylbut-2-enamide
CID 154634438
(2E,6E)-N,5-diethyl-7-fluorohepta-2,6-dienamide;ethane
CID 144808711
(Z)-3-butylsulfinyl-N-propylprop-2-enamide
CID 5384056
(E)-2-amino-N,N'-dipropylbut-2-enediamide
CID 90409713
molecular hydrogen;N-propylprop-2-enamide
CID 153372503

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide?
The IUPAC name of (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide (CID 10105497) is (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide.
What is the SMILES notation for (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide?
The canonical SMILES for (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide is C/C=C/CC(/C=C/C(=O)NCCC)C/C=C/C.
What is the InChIKey of (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide?
The InChIKey is BCZWSRFXXMDBIR-CVSJIUGSSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-7-9-14(10-8-5-2)11-12-15(17)16-13-6-3/h4-5,7-8,11-12,14H,6,9-10,13H2,1-3H3,(H,16,17)/b7-4+,8-5+,12-11+.
What are the key properties of (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide?
(2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide has a molecular weight of 235.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4-[(E)-but-2-enyl]-N-propylocta-2,6-dienamide is sourced from PubChem (CID 10105497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).