2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide

C18H18N4O3 — CID 9035563

IUPAC2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18N4O3/c1-12(13-7-8-16-15(9-13)20-18(24)11-25-16)21-22-17(23)10-19-14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3,(H,20,24)(H,22,23)/b21-12-
InChIKeyXVEYRCHKKOBHHE-MTJSOVHGSA-N
MW338.37 g/mol
LogP1.97
Rot. Bonds5

About 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide

2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide (PubChem CID 9035563) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
PubChem CID9035563
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccccc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18N4O3/c1-12(13-7-8-16-15(9-13)20-18(24)11-25-16)21-22-17(23)10-19-14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3,(H,20,24)(H,22,23)/b21-12-
InChIKeyXVEYRCHKKOBHHE-MTJSOVHGSA-N
XLogP1.97
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035669
2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9039455
methyl N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamate
CID 9211787
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881942
2-(4-cyanophenoxy)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9217788
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
CID 9211562
6-[(Z)-N-(2-chloroanilino)-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 9211664
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
CID 9233411
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
1-(2-methoxyethyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea
CID 9217000
5-(4-fluorophenyl)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiophene-2-carboxamide
CID 9298327

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide (CID 9035563) is 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)CNc1ccccc1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The InChIKey is XVEYRCHKKOBHHE-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12(13-7-8-16-15(9-13)20-18(24)11-25-16)21-22-17(23)10-19-14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3,(H,20,24)(H,22,23)/b21-12-.
What are the key properties of 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide has a molecular weight of 338.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9035563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).