1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide

C20H20N2O3 — CID 71920872

IUPAC1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide
SMILESO=C1COc2cc(NC(=O)C3(Cc4ccccc4)CCC3)ccc2N1
InChIInChI=1S/C20H20N2O3/c23-18-13-25-17-11-15(7-8-16(17)22-18)21-19(24)20(9-4-10-20)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)(H,22,23)
InChIKeyNGPBNJHZZBFAIC-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.37
Rot. Bonds4

About 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide

1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide (PubChem CID 71920872) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide
PubChem CID71920872
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide
SMILESO=C1COc2cc(NC(=O)C3(Cc4ccccc4)CCC3)ccc2N1
InChIInChI=1S/C20H20N2O3/c23-18-13-25-17-11-15(7-8-16(17)22-18)21-19(24)20(9-4-10-20)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)(H,22,23)
InChIKeyNGPBNJHZZBFAIC-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
trans-(1R,3R)-2,2-dimethyl-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 95391684
1-[[4-(dimethylamino)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893272
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 121239655
4-methyl-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172671910
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
3-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4H-1,2-oxazole-5-carboxamide
CID 46979789
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide (CID 71920872) is 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide is O=C1COc2cc(NC(=O)C3(Cc4ccccc4)CCC3)ccc2N1.
What is the InChIKey of 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide?
The InChIKey is NGPBNJHZZBFAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-13-25-17-11-15(7-8-16(17)22-18)21-19(24)20(9-4-10-20)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13H2,(H,21,24)(H,22,23).
What are the key properties of 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide?
1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 71920872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).