N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

C17H16N2O3 — CID 18837645

IUPACN-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1CC(=O)Oc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16(18-10-13-6-2-1-3-7-13)11-19-12-17(21)22-15-9-5-4-8-14(15)19/h1-9H,10-12H2,(H,18,20)
InChIKeyMZMFFIYMNPQTLS-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.73
Rot. Bonds4

About N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide

N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18837645) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
PubChem CID18837645
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1CC(=O)Oc2ccccc21)NCc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16(18-10-13-6-2-1-3-7-13)11-19-12-17(21)22-15-9-5-4-8-14(15)19/h1-9H,10-12H2,(H,18,20)
InChIKeyMZMFFIYMNPQTLS-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 2145420
N-(4-methylpiperazin-1-yl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061333
N-(4-fluorophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837565
N-(5-methyl-2-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39058986
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061119
2-chloro-5-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 39058832
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39058834
N-benzyl-2-(4-ethenyl-5-oxo-2H-pyrrol-1-yl)acetamide
CID 162402355
2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 39061133
2-(2-oxo-3H-1,4-benzoxazin-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 39058916
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110754905
N-(3-chloro-4-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837562

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide (CID 18837645) is N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is O=C(CN1CC(=O)Oc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is MZMFFIYMNPQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(18-10-13-6-2-1-3-7-13)11-19-12-17(21)22-15-9-5-4-8-14(15)19/h1-9H,10-12H2,(H,18,20).
What are the key properties of N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide?
N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18837645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).