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

C17H16N2O3 — CID 5308113

IUPACN-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16(18-11-12-6-2-1-3-7-12)10-15-17(21)19-13-8-4-5-9-14(13)22-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)
InChIKeyOPYSMUSLAJWBPQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.09
Rot. Bonds4

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

N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5308113) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5308113
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)NCc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16(18-11-12-6-2-1-3-7-12)10-15-17(21)19-13-8-4-5-9-14(13)22-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21)
InChIKeyOPYSMUSLAJWBPQ-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5308113) is N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is O=C(CC1Oc2ccccc2NC1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is OPYSMUSLAJWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(18-11-12-6-2-1-3-7-12)10-15-17(21)19-13-8-4-5-9-14(13)22-15/h1-9,15H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5308113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).