N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C19H20N2O3 — CID 3239238

IUPACN-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-14-6-8-15(9-7-14)10-11-20-18(22)12-21-16-4-2-3-5-17(16)24-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyIUWWGJCYGAFWEP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3239238) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3239238
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-14-6-8-15(9-7-14)10-11-20-18(22)12-21-16-4-2-3-5-17(16)24-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyIUWWGJCYGAFWEP-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethoxy-2'-ethyloxanilide
CID 90303
AC-260584
CID 9928284
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476470
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3239238) is N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is IUWWGJCYGAFWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-6-8-15(9-7-14)10-11-20-18(22)12-21-16-4-2-3-5-17(16)24-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3239238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).