N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C23H20N2O3 — CID 66716785

IUPACN-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2NC1=O
InChIInChI=1S/C23H20N2O3/c1-15-22(26)25-20-13-18(10-11-21(20)28-15)17-8-5-9-19(12-17)23(27)24-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyWDXKUBWGZMLOPF-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.00
Rot. Bonds4

About N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 66716785) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID66716785
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCC1Oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2NC1=O
InChIInChI=1S/C23H20N2O3/c1-15-22(26)25-20-13-18(10-11-21(20)28-15)17-8-5-9-19(12-17)23(27)24-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyWDXKUBWGZMLOPF-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 66716785) is N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is CC1Oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)cc2NC1=O.
What is the InChIKey of N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is WDXKUBWGZMLOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-22(26)25-20-13-18(10-11-21(20)28-15)17-8-5-9-19(12-17)23(27)24-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 372.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 66716785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).