3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide

C17H16N2O3 — CID 59802754

IUPAC3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-11(12-5-3-2-4-6-12)18-17(21)13-7-8-15-14(9-13)19-16(20)10-22-15/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyLMFMBMUDKWSNRB-NSHDSACASA-N
MW296.33 g/mol
LogP2.51
Rot. Bonds3

About 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide

3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 59802754) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
PubChem CID59802754
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-11(12-5-3-2-4-6-12)18-17(21)13-7-8-15-14(9-13)19-16(20)10-22-15/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyLMFMBMUDKWSNRB-NSHDSACASA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17449790
ethyl 3-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-phenylpropanoate
CID 48587688
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-oxo-N-[phenyl(pyridin-2-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 134021250
N-(1-hydroxy-3-methylbutan-2-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 79252140
N-[1-(4-tert-butylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 134043362
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457
N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 171682700
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
N-[(4-chlorophenyl)-phenylmethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55372147
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55621154

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide (CID 59802754) is 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccccc1.
What is the InChIKey of 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is LMFMBMUDKWSNRB-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11(12-5-3-2-4-6-12)18-17(21)13-7-8-15-14(9-13)19-16(20)10-22-15/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide?
3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(1S)-1-phenylethyl]-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 59802754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).