(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide

C16H14N2O2 — CID 10611794

IUPAC(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1/C=N/O
InChIInChI=1S/C16H14N2O2/c19-16(11-10-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)12-17-20/h1-12,20H,(H,18,19)/b11-10+,17-12+
InChIKeyHGAORVKZSJPRPE-SXSSDGSKSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds4

About (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 10611794) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
PubChem CID10611794
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1/C=N/O
InChIInChI=1S/C16H14N2O2/c19-16(11-10-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)12-17-20/h1-12,20H,(H,18,19)/b11-10+,17-12+
InChIKeyHGAORVKZSJPRPE-SXSSDGSKSA-N
XLogP3.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide
CID 10617276
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
N-[2,4-dihydroxy-5-(3-phenylprop-2-enoylamino)phenyl]-3-phenylprop-2-enamide
CID 154425563
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
3,4-bis[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 35209489
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide (CID 10611794) is (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccccc1/C=N/O.
What is the InChIKey of (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is HGAORVKZSJPRPE-SXSSDGSKSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(11-10-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)12-17-20/h1-12,20H,(H,18,19)/b11-10+,17-12+.
What are the key properties of (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 10611794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).