(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide

C22H18N2O2 — CID 10617276

IUPAC(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1/C(=N/O)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)22(24-26)18-11-5-2-6-12-18/h1-16,26H,(H,23,25)/b16-15+,24-22+
InChIKeyJFCRNPFKDOPIQU-TUIWHFCZSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds5

About (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 10617276) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID10617276
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccccc1/C(=N/O)c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)22(24-26)18-11-5-2-6-12-18/h1-16,26H,(H,23,25)/b16-15+,24-22+
InChIKeyJFCRNPFKDOPIQU-TUIWHFCZSA-N
XLogP4.57
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
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

2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
(E)-N-[2-[(E)-hydroxyiminomethyl]phenyl]-3-phenylprop-2-enamide
CID 10611794
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
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
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-phenylprop-2-enamide
CID 126006435
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
2-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 68947325

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide (CID 10617276) is (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccccc1/C(=N/O)c1ccccc1.
What is the InChIKey of (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is JFCRNPFKDOPIQU-TUIWHFCZSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)22(24-26)18-11-5-2-6-12-18/h1-16,26H,(H,23,25)/b16-15+,24-22+.
What are the key properties of (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 10617276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).