N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide

C17H24N2O — CID 129439051

IUPACN-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
SMILESCCCCCCCC(=O)NN=C/C=C/c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-9-14-17(20)19-18-15-10-13-16-11-7-6-8-12-16/h6-8,10-13,15H,2-5,9,14H2,1H3,(H,19,20)/b13-10+,18-15?
InChIKeyKANCUROMUOFPHK-ZMFARHBDSA-N
MW272.39 g/mol
LogP4.16
Rot. Bonds9

About N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide

N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide (PubChem CID 129439051) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide.

Molecular Properties

Compound NameN-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
PubChem CID129439051
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
SMILESCCCCCCCC(=O)NN=C/C=C/c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-9-14-17(20)19-18-15-10-13-16-11-7-6-8-12-16/h6-8,10-13,15H,2-5,9,14H2,1H3,(H,19,20)/b13-10+,18-15?
InChIKeyKANCUROMUOFPHK-ZMFARHBDSA-N
XLogP4.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cinnamylideneamino)undecanamide
CID 3458193
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
(1E,3E)-1-phenylundeca-1,3-dien-5-one
CID 5373541
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
N-(but-2-enylideneamino)octanamide
CID 5180348
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
1,3-bis(cinnamylideneamino)urea
CID 2823909

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide?
The IUPAC name of N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide (CID 129439051) is N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide.
What is the SMILES notation for N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide?
The canonical SMILES for N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide is CCCCCCCC(=O)NN=C/C=C/c1ccccc1.
What is the InChIKey of N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide?
The InChIKey is KANCUROMUOFPHK-ZMFARHBDSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-5-9-14-17(20)19-18-15-10-13-16-11-7-6-8-12-16/h6-8,10-13,15H,2-5,9,14H2,1H3,(H,19,20)/b13-10+,18-15?.
What are the key properties of N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide?
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide has a molecular weight of 272.39 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide is sourced from PubChem (CID 129439051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).