N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide

C18H18N2O3 — CID 110778134

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1
InChIInChI=1S/C18H18N2O3/c1-12-3-5-13(6-4-12)9-17(21)19-14-7-8-16-15(10-14)20(2)18(22)11-23-16/h3-8,10H,9,11H2,1-2H3,(H,19,21)
InChIKeyNGPUIXISFCMISE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.53
Rot. Bonds3

About N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide

N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide (PubChem CID 110778134) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
PubChem CID110778134
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1
InChIInChI=1S/C18H18N2O3/c1-12-3-5-13(6-4-12)9-17(21)19-14-7-8-16-15(10-14)20(2)18(22)11-23-16/h3-8,10H,9,11H2,1-2H3,(H,19,21)
InChIKeyNGPUIXISFCMISE-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
N-(4-cyanophenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770491
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 110778162
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide (CID 110778134) is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is NGPUIXISFCMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-3-5-13(6-4-12)9-17(21)19-14-7-8-16-15(10-14)20(2)18(22)11-23-16/h3-8,10H,9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 110778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).