N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide

C28H46N2O — CID 45054186

IUPACN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C/C(C)=C\c1ccccc1
InChIInChI=1S/C28H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(31)30-29-25-26(2)24-27-21-18-17-19-22-27/h17-19,21-22,24-25H,3-16,20,23H2,1-2H3,(H,30,31)/b26-24-,29-25+
InChIKeyWOMPFSSGAVDAMH-KTDOTDGDSA-N
MW426.69 g/mol
LogP8.45
Rot. Bonds19

About N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide

N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide (PubChem CID 45054186) has the molecular formula C28H46N2O and a molecular weight of 426.69 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
PubChem CID45054186
Molecular FormulaC28H46N2O
Molecular Weight426.69 g/mol
Exact Mass426.36
IUPAC NameN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C/C(C)=C\c1ccccc1
InChIInChI=1S/C28H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(31)30-29-25-26(2)24-27-21-18-17-19-22-27/h17-19,21-22,24-25H,3-16,20,23H2,1-2H3,(H,30,31)/b26-24-,29-25+
InChIKeyWOMPFSSGAVDAMH-KTDOTDGDSA-N
XLogP8.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 58.45
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,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
1-dodecyl-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
CID 5356611
1-hexadecyl-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
CID 5356298
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N-[[(E)-3-phenylprop-2-enylidene]amino]octanamide
CID 129439051
N-(cinnamylideneamino)undecanamide
CID 3458193
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide?
The IUPAC name of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide (CID 45054186) is N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide.
What is the SMILES notation for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide?
The canonical SMILES for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N/N=C/C(C)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide?
The InChIKey is WOMPFSSGAVDAMH-KTDOTDGDSA-N. The full InChI is InChI=1S/C28H46N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(31)30-29-25-26(2)24-27-21-18-17-19-22-27/h17-19,21-22,24-25H,3-16,20,23H2,1-2H3,(H,30,31)/b26-24-,29-25+.
What are the key properties of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide?
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide has a molecular weight of 426.69 g/mol, XLogP of 8.45, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide is sourced from PubChem (CID 45054186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).