4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide

C24H22N2O3 — CID 7413170

IUPAC4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN2C(=O)COc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-17(19-7-3-2-4-8-19)25-24(28)20-13-11-18(12-14-20)15-26-21-9-5-6-10-22(21)29-16-23(26)27/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyAISOCHGBMWHMNA-QGZVFWFLSA-N
MW386.45 g/mol
LogP4.10
Rot. Bonds5

About 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide

4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 7413170) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID7413170
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN2C(=O)COc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-17(19-7-3-2-4-8-19)25-24(28)20-13-11-18(12-14-20)15-26-21-9-5-6-10-22(21)29-16-23(26)27/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyAISOCHGBMWHMNA-QGZVFWFLSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.10
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
methyl 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 17047028
2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 7417660
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
N-(1,2-diphenylethyl)-4-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide
CID 4286507
5-[[6-[2-(4-chlorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 98423559
4-[(4-chlorophenyl)methyl]-3-oxo-N-(1-phenylethyl)-1,4-benzothiazine-6-carboxamide
CID 4160206
2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 4145467
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
5-[[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 98423565
5-[[6-[2-(2-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 46034424

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide (CID 7413170) is 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(CN2C(=O)COc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is AISOCHGBMWHMNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17(19-7-3-2-4-8-19)25-24(28)20-13-11-18(12-14-20)15-26-21-9-5-6-10-22(21)29-16-23(26)27/h2-14,17H,15-16H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide?
4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 7413170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).