N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C19H20N2O3 — CID 3238531

IUPACN-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-2-14-7-9-15(10-8-14)11-20-18(22)12-21-16-5-3-4-6-17(16)24-13-19(21)23/h3-10H,2,11-13H2,1H3,(H,20,22)
InChIKeySEQAOODRLUMOJY-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.29
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3238531) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3238531
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-2-14-7-9-15(10-8-14)11-20-18(22)12-21-16-5-3-4-6-17(16)24-13-19(21)23/h3-10H,2,11-13H2,1H3,(H,20,22)
InChIKeySEQAOODRLUMOJY-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3238531) is N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is CCc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is SEQAOODRLUMOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-14-7-9-15(10-8-14)11-20-18(22)12-21-16-5-3-4-6-17(16)24-13-19(21)23/h3-10H,2,11-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3238531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).