3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide

C19H20N2O3 — CID 6938465

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14(15-7-3-2-4-8-15)20-18(22)11-12-21-16-9-5-6-10-17(16)24-13-19(21)23/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyJENQSXIHMROZHF-AWEZNQCLSA-N
MW324.38 g/mol
LogP2.68
Rot. Bonds5

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 6938465) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID6938465
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1
InChIInChI=1S/C19H20N2O3/c1-14(15-7-3-2-4-8-15)20-18(22)11-12-21-16-9-5-6-10-17(16)24-13-19(21)23/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyJENQSXIHMROZHF-AWEZNQCLSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 71909359
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
N-[(2S)-1-aminopropan-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 120504850
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9264232
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9478461
methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
CID 9278082
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35235363
4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 7413170

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 6938465) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is JENQSXIHMROZHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(15-7-3-2-4-8-15)20-18(22)11-12-21-16-9-5-6-10-17(16)24-13-19(21)23/h2-10,14H,11-13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 6938465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).