2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide

C16H15N3O3 — CID 82346003

IUPAC2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
SMILESNc1cccc2c1N(CC(=O)Nc1ccccc1)C(=O)CO2
InChIInChI=1S/C16H15N3O3/c17-12-7-4-8-13-16(12)19(15(21)10-22-13)9-14(20)18-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,20)
InChIKeyALIOVAJJQDNIAH-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.63
Rot. Bonds3

About 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide

2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide (PubChem CID 82346003) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
PubChem CID82346003
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
SMILESNc1cccc2c1N(CC(=O)Nc1ccccc1)C(=O)CO2
InChIInChI=1S/C16H15N3O3/c17-12-7-4-8-13-16(12)19(15(21)10-22-13)9-14(20)18-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,20)
InChIKeyALIOVAJJQDNIAH-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
5-amino-4-butyl-1,4-benzoxazin-3-one
CID 82346066
5-amino-4-(3-phenylpropyl)-1,4-benzoxazin-3-one
CID 82346075
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 30378601
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
5-amino-4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 82346099
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26898570
5-amino-4-[(3-bromophenyl)methyl]-1,4-benzoxazin-3-one
CID 84609544
2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
CID 82346034

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
The IUPAC name of 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide (CID 82346003) is 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide is Nc1cccc2c1N(CC(=O)Nc1ccccc1)C(=O)CO2.
What is the InChIKey of 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
The InChIKey is ALIOVAJJQDNIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-12-7-4-8-13-16(12)19(15(21)10-22-13)9-14(20)18-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,20).
What are the key properties of 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide?
2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide has a molecular weight of 297.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide is sourced from PubChem (CID 82346003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).