N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide

C22H20N2O4 — CID 18551162

IUPACN-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide
SMILESCc1noc(=O)c2ccc(NC(=O)C(=O)CC3(c4ccccc4)CCC3)cc12
InChIInChI=1S/C22H20N2O4/c1-14-18-12-16(8-9-17(18)21(27)28-24-14)23-20(26)19(25)13-22(10-5-11-22)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,26)
InChIKeyVPZWZQQXNOSXJD-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.52
Rot. Bonds5

About N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide

N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide (PubChem CID 18551162) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide
PubChem CID18551162
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide
SMILESCc1noc(=O)c2ccc(NC(=O)C(=O)CC3(c4ccccc4)CCC3)cc12
InChIInChI=1S/C22H20N2O4/c1-14-18-12-16(8-9-17(18)21(27)28-24-14)23-20(26)19(25)13-22(10-5-11-22)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,26)
InChIKeyVPZWZQQXNOSXJD-UHFFFAOYSA-N
XLogP3.52
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide?
The IUPAC name of N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide (CID 18551162) is N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide.
What is the SMILES notation for N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide?
The canonical SMILES for N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide is Cc1noc(=O)c2ccc(NC(=O)C(=O)CC3(c4ccccc4)CCC3)cc12.
What is the InChIKey of N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide?
The InChIKey is VPZWZQQXNOSXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-18-12-16(8-9-17(18)21(27)28-24-14)23-20(26)19(25)13-22(10-5-11-22)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,26).
What are the key properties of N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide?
N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide has a molecular weight of 376.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-oxo-3-(1-phenylcyclobutyl)propanamide is sourced from PubChem (CID 18551162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).