N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide

C20H20N2O5 — CID 42939881

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C1COc2ccc(NC(=O)c3cccc(OCC4CCCO4)c3)cc2N1
InChIInChI=1S/C20H20N2O5/c23-19-12-27-18-7-6-14(10-17(18)22-19)21-20(24)13-3-1-4-15(9-13)26-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H,21,24)(H,22,23)
InChIKeyBHRYHFXUYNBFFV-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.83
Rot. Bonds5

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

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42939881) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID42939881
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C1COc2ccc(NC(=O)c3cccc(OCC4CCCO4)c3)cc2N1
InChIInChI=1S/C20H20N2O5/c23-19-12-27-18-7-6-14(10-17(18)22-19)21-20(24)13-3-1-4-15(9-13)26-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H,21,24)(H,22,23)
InChIKeyBHRYHFXUYNBFFV-UHFFFAOYSA-N
XLogP2.83
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-(oxolan-2-ylmethoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 46518741

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide (CID 42939881) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide is O=C1COc2ccc(NC(=O)c3cccc(OCC4CCCO4)c3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is BHRYHFXUYNBFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-19-12-27-18-7-6-14(10-17(18)22-19)21-20(24)13-3-1-4-15(9-13)26-11-16-5-2-8-25-16/h1,3-4,6-7,9-10,16H,2,5,8,11-12H2,(H,21,24)(H,22,23).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42939881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).