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

C18H18N2O3 — CID 5308479

IUPACN-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1
InChIInChI=1S/C18H18N2O3/c1-11-7-8-13(12(2)9-11)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLDVDOCCVVQDFNN-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.03
Rot. Bonds3

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

N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5308479) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5308479
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1
InChIInChI=1S/C18H18N2O3/c1-11-7-8-13(12(2)9-11)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLDVDOCCVVQDFNN-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5308479) is N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is LDVDOCCVVQDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-7-8-13(12(2)9-11)19-17(21)10-16-18(22)20-14-5-3-4-6-15(14)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5308479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).