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

C22H19N3O4 — CID 135731109

IUPACN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESC/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1ccc2ccccc2c1O
InChIInChI=1S/C22H19N3O4/c1-14(16-11-10-15-6-2-3-7-17(15)22(16)28)23-24-20(26)12-25-18-8-4-5-9-19(18)29-13-21(25)27/h2-11,28H,12-13H2,1H3,(H,24,26)/b23-14+
InChIKeySQOPJKDBEYQUEL-OEAKJJBVSA-N
MW389.41 g/mol
LogP2.81
Rot. Bonds4

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

N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 135731109) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID135731109
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESC/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1ccc2ccccc2c1O
InChIInChI=1S/C22H19N3O4/c1-14(16-11-10-15-6-2-3-7-17(15)22(16)28)23-24-20(26)12-25-18-8-4-5-9-19(18)29-13-21(25)27/h2-11,28H,12-13H2,1H3,(H,24,26)/b23-14+
InChIKeySQOPJKDBEYQUEL-OEAKJJBVSA-N
XLogP2.81
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 44722878
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 153408141
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 170639977
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 135731113
naphthalen-1-yl 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 18886676
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
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-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 135731109) is N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is C/C(=N\NC(=O)CN1C(=O)COc2ccccc21)c1ccc2ccccc2c1O.
What is the InChIKey of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is SQOPJKDBEYQUEL-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14(16-11-10-15-6-2-3-7-17(15)22(16)28)23-24-20(26)12-25-18-8-4-5-9-19(18)29-13-21(25)27/h2-11,28H,12-13H2,1H3,(H,24,26)/b23-14+.
What are the key properties of N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 389.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 135731109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).