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

C17H16N2O4 — CID 1455414

IUPACN-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C17H16N2O4/c1-22-13-8-6-12(7-9-13)18-16(20)10-19-14-4-2-3-5-15(14)23-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyZTXOKSCLBMNSDU-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.06
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 1455414) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID1455414
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C17H16N2O4/c1-22-13-8-6-12(7-9-13)18-16(20)10-19-14-4-2-3-5-15(14)23-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyZTXOKSCLBMNSDU-UHFFFAOYSA-N
XLogP2.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47088024
N-[4-(2-chlorophenoxy)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24529854
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
N-(4-methoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzoxazin-4-yl]acetamide
CID 46344147
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8559073
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26898570
N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
1-(4-methoxyphenyl)-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine;hydroiodide
CID 111819055
(4-benzamidophenyl) 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26698654

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 1455414) is N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ZTXOKSCLBMNSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-13-8-6-12(7-9-13)18-16(20)10-19-14-4-2-3-5-15(14)23-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 1455414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).