ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate

C18H24N2O — CID 143033221

IUPACethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate
SMILES[H]/N=C(OCC)/C(=C\C=C/C)C(=C)NCCc1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-6-12-17(18(19)21-5-2)15(3)20-14-13-16-10-8-7-9-11-16/h4,6-12,19-20H,3,5,13-14H2,1-2H3/b6-4-,17-12-,19-18-
InChIKeyNVJNTFXAIFXUMD-QPSANMBVSA-N
MW284.40 g/mol
LogP3.85
Rot. Bonds8

About ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate

ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate (PubChem CID 143033221) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate.

Molecular Properties

Compound Nameethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate
PubChem CID143033221
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Nameethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate
SMILES[H]/N=C(OCC)/C(=C\C=C/C)C(=C)NCCc1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-6-12-17(18(19)21-5-2)15(3)20-14-13-16-10-8-7-9-11-16/h4,6-12,19-20H,3,5,13-14H2,1-2H3/b6-4-,17-12-,19-18-
InChIKeyNVJNTFXAIFXUMD-QPSANMBVSA-N
XLogP3.85
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenylethenyl]cyclohexanamine
CID 10730783
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-(1-phenylethyl)prop-1-en-1-amine
CID 10828491
(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-phenyl-N-[(1S)-1-phenylethyl]ethenamine
CID 101087446
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5-(Methoxymethyl)-4-phenyl-1,2,3,6-tetrahydropyridine
CID 91109026
6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine
CID 134567919
4-[(Z)-3-(3-ethenyl-5,7-dimethyl-4H-azepin-2-yl)prop-2-enoxy]-4-methyl-N-(2-phenylethyl)pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate?
The IUPAC name of ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate (CID 143033221) is ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate.
What is the SMILES notation for ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate?
The canonical SMILES for ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate is [H]/N=C(OCC)/C(=C\C=C/C)C(=C)NCCc1ccccc1.
What is the InChIKey of ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate?
The InChIKey is NVJNTFXAIFXUMD-QPSANMBVSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-6-12-17(18(19)21-5-2)15(3)20-14-13-16-10-8-7-9-11-16/h4,6-12,19-20H,3,5,13-14H2,1-2H3/b6-4-,17-12-,19-18-.
What are the key properties of ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate?
ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate has a molecular weight of 284.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4Z)-2-[1-(2-phenylethylamino)ethenyl]hexa-2,4-dienimidate is sourced from PubChem (CID 143033221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).