4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide

C24H20N2O3 — CID 46373088

IUPAC4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-16(18-7-3-2-4-8-18)25-23(27)19-13-11-17(12-14-19)15-22-24(28)26-20-9-5-6-10-21(20)29-22/h2-16H,1H3,(H,25,27)(H,26,28)/b22-15-
InChIKeyZXJNPJXFWJFRGU-JCMHNJIXSA-N
MW384.44 g/mol
LogP4.55
Rot. Bonds4

About 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide

4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide (PubChem CID 46373088) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide
PubChem CID46373088
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c1-16(18-7-3-2-4-8-18)25-23(27)19-13-11-17(12-14-19)15-22-24(28)26-20-9-5-6-10-21(20)29-22/h2-16H,1H3,(H,25,27)(H,26,28)/b22-15-
InChIKeyZXJNPJXFWJFRGU-JCMHNJIXSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867443
N-(4-methylcyclohexyl)-4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
CID 5179691
N-(furan-2-ylmethyl)-4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
CID 6296213
(2Z)-2-[(4-bromophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 143664879
2-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methylidene]-4H-1,4-benzoxazin-3-one
CID 5190398
(2E)-2-[(3-chlorophenyl)methylidene]-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 46296790
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide
CID 6013479
ethyl 4-[4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzoyl]piperazine-1-carboxylate
CID 45107092
[2,6-dimethyl-4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]phenyl] benzoate
CID 139665515
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
(2E)-N-[(2S)-1-[benzyl(methyl)amino]butan-2-yl]-2-[(4-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 92867421

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide (CID 46373088) is 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is ZXJNPJXFWJFRGU-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-16(18-7-3-2-4-8-18)25-23(27)19-13-11-17(12-14-19)15-22-24(28)26-20-9-5-6-10-21(20)29-22/h2-16H,1H3,(H,25,27)(H,26,28)/b22-15-.
What are the key properties of 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide?
4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46373088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).