ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide

C18H20N2O — CID 143625554

IUPACethane;(Z)-4-imino-2,3-diphenylbut-2-enamide
SMILESCC.[H]/N=C/C(=C(\C(N)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O.C2H6/c17-11-14(12-7-3-1-4-8-12)15(16(18)19)13-9-5-2-6-10-13;1-2/h1-11,17H,(H2,18,19);1-2H3/b15-14+,17-11+;
InChIKeyFMEXDVYHWNFCEW-DZNCTZNGSA-N
MW280.37 g/mol
LogP3.76
Rot. Bonds4

About ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide

ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide (PubChem CID 143625554) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide.

Molecular Properties

Compound Nameethane;(Z)-4-imino-2,3-diphenylbut-2-enamide
PubChem CID143625554
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Nameethane;(Z)-4-imino-2,3-diphenylbut-2-enamide
SMILESCC.[H]/N=C/C(=C(\C(N)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O.C2H6/c17-11-14(12-7-3-1-4-8-12)15(16(18)19)13-9-5-2-6-10-13;1-2/h1-11,17H,(H2,18,19);1-2H3/b15-14+,17-11+;
InChIKeyFMEXDVYHWNFCEW-DZNCTZNGSA-N
XLogP3.76
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-bis(3-fluorophenyl)-4-iminobut-2-enamide;ethane
CID 143625747
ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide
CID 143625473
2-methyl-3-phenylbut-2-enediamide
CID 71247026
2-imino-2-phenylacetamide
CID 18431878
1-(4-benzoylphenyl)-2-iminoethanone
CID 57228817
(2Z,4E)-2,5-diphenyl-3-(trideuteriomethyl)hexa-2,4-dien-1-imine
CID 176754936
4,4,4-trifluoro-3-methyl-2-phenylbut-2-enamide
CID 141454955
ethyl 3-hydroxy-2-methanimidoyl-3-phenylprop-2-enoate
CID 136776858
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
ethane;(2E,4E)-4-methoxy-2,7-dimethyl-6-phenylocta-2,4,6-trien-1-imine
CID 142350882
3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
CID 162948831

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide?
The IUPAC name of ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide (CID 143625554) is ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide.
What is the SMILES notation for ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide?
The canonical SMILES for ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide is CC.[H]/N=C/C(=C(\C(N)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide?
The InChIKey is FMEXDVYHWNFCEW-DZNCTZNGSA-N. The full InChI is InChI=1S/C16H14N2O.C2H6/c17-11-14(12-7-3-1-4-8-12)15(16(18)19)13-9-5-2-6-10-13;1-2/h1-11,17H,(H2,18,19);1-2H3/b15-14+,17-11+;.
What are the key properties of ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide?
ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-imino-2,3-diphenylbut-2-enamide is sourced from PubChem (CID 143625554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).