2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide

C17H19NO2 — CID 142265185

IUPAC2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
SMILESC=C/C=C\C=C(/C)CCNC(=O)c1ccccc1C=O
InChIInChI=1S/C17H19NO2/c1-3-4-5-8-14(2)11-12-18-17(20)16-10-7-6-9-15(16)13-19/h3-10,13H,1,11-12H2,2H3,(H,18,20)/b5-4-,14-8+
InChIKeySHYBVJIZZKREKT-HNQGTOQISA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds7

About 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide

2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide (PubChem CID 142265185) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide.

Molecular Properties

Compound Name2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
PubChem CID142265185
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
SMILESC=C/C=C\C=C(/C)CCNC(=O)c1ccccc1C=O
InChIInChI=1S/C17H19NO2/c1-3-4-5-8-14(2)11-12-18-17(20)16-10-7-6-9-15(16)13-19/h3-10,13H,1,11-12H2,2H3,(H,18,20)/b5-4-,14-8+
InChIKeySHYBVJIZZKREKT-HNQGTOQISA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
2-[(2-formylbenzoyl)amino]ethanesulfonic acid
CID 173328045
3-aminopropyl-[3-[3-[6-[3-[(2-formylbenzoyl)amino]propyl-dimethylazaniumyl]hexanoylamino]propyl-dimethylazaniumyl]propyl]-dimethylazanium
CID 89104422
N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
CID 160631823
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzaldehyde
CID 142175336
2-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]sulfanylbenzoic acid
CID 143216600
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
N-[3-[(2S,6S,8S)-2-but-3-enyl-1,7-dioxaspiro[5.5]undecan-8-yl]propyl]-2-formylbenzamide
CID 59456485
2-[(2Z,4E)-6-methylhepta-2,4,6-trien-2-yl]benzaldehyde
CID 142830103
N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide
CID 88968385
2-[7-(2-formylphenyl)-4,7-dioxoheptanoyl]benzaldehyde
CID 166643291

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide?
The IUPAC name of 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide (CID 142265185) is 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide.
What is the SMILES notation for 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide?
The canonical SMILES for 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide is C=C/C=C\C=C(/C)CCNC(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide?
The InChIKey is SHYBVJIZZKREKT-HNQGTOQISA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-4-5-8-14(2)11-12-18-17(20)16-10-7-6-9-15(16)13-19/h3-10,13H,1,11-12H2,2H3,(H,18,20)/b5-4-,14-8+.
What are the key properties of 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide?
2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide is sourced from PubChem (CID 142265185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).