N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C19H19N3O3 — CID 44722878

IUPACN-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESC/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O3/c1-13-7-9-15(10-8-13)14(2)20-21-18(23)11-22-16-5-3-4-6-17(16)25-12-19(22)24/h3-10H,11-12H2,1-2H3,(H,21,23)/b20-14+
InChIKeyLCYFSCGAOOZODS-XSFVSMFZSA-N
MW337.38 g/mol
LogP2.26
Rot. Bonds4

About N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 44722878) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID44722878
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESC/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C19H19N3O3/c1-13-7-9-15(10-8-13)14(2)20-21-18(23)11-22-16-5-3-4-6-17(16)25-12-19(22)24/h3-10H,11-12H2,1-2H3,(H,21,23)/b20-14+
InChIKeyLCYFSCGAOOZODS-XSFVSMFZSA-N
XLogP2.26
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 135731109
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 170639977
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 153408141
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 30378601
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9374640
4-[2-(2-methylphenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 62024634
2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
CID 3952636

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 44722878) is N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is C/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is LCYFSCGAOOZODS-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-7-9-15(10-8-13)14(2)20-21-18(23)11-22-16-5-3-4-6-17(16)25-12-19(22)24/h3-10H,11-12H2,1-2H3,(H,21,23)/b20-14+.
What are the key properties of N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 44722878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).