(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C25H22N2O5 — CID 46296631

IUPAC(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccccc3OC)cc2NC1=O
InChIInChI=1S/C25H22N2O5/c1-30-20-9-5-3-7-16(20)14-23-25(29)27-19-13-17(11-12-22(19)32-23)24(28)26-15-18-8-4-6-10-21(18)31-2/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)/b23-14-
InChIKeyYWHLIMMBOZRADT-UCQKPKSFSA-N
MW430.46 g/mol
LogP4.01
Rot. Bonds6

About (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 46296631) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID46296631
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccccc3OC)cc2NC1=O
InChIInChI=1S/C25H22N2O5/c1-30-20-9-5-3-7-16(20)14-23-25(29)27-19-13-17(11-12-22(19)32-23)24(28)26-15-18-8-4-6-10-21(18)31-2/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)/b23-14-
InChIKeyYWHLIMMBOZRADT-UCQKPKSFSA-N
XLogP4.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(2,4-dimethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296751
(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296623
(2E)-N-[2-(azepan-1-yl)ethyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296654
(2Z)-2-[(3-chlorophenyl)methylidene]-N-[(2-ethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296841
(2Z)-2-[(2-chlorophenyl)methylidene]-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296744
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(2R)-2-phenylpropyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867447
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(2-phenylpropyl)-4H-1,4-benzoxazine-6-carboxamide
CID 46296715
(2E)-2-[(3-chlorophenyl)methylidene]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296848
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
(2Z)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 92867443
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 46296631) is (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is COc1ccccc1/C=C1\Oc2ccc(C(=O)NCc3ccccc3OC)cc2NC1=O.
What is the InChIKey of (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is YWHLIMMBOZRADT-UCQKPKSFSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-30-20-9-5-3-7-16(20)14-23-25(29)27-19-13-17(11-12-22(19)32-23)24(28)26-15-18-8-4-6-10-21(18)31-2/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)/b23-14-.
What are the key properties of (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
(2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 46296631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).