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

C18H18N2O3 — CID 3239944

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(14-7-3-2-4-8-14)19-17(21)11-20-15-9-5-6-10-16(15)23-12-18(20)22/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyQBMYUQVOCICIGI-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.29
Rot. Bonds4

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

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide (PubChem CID 3239944) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
PubChem CID3239944
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(14-7-3-2-4-8-14)19-17(21)11-20-15-9-5-6-10-16(15)23-12-18(20)22/h2-10,13H,11-12H2,1H3,(H,19,21)
InChIKeyQBMYUQVOCICIGI-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18143465
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 42892637
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101
4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 7413170
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92664935
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
CID 50758002
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9162371
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51644617

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide (CID 3239944) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is QBMYUQVOCICIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(14-7-3-2-4-8-14)19-17(21)11-20-15-9-5-6-10-16(15)23-12-18(20)22/h2-10,13H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3239944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).