[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

C26H24N2O6 — CID 55321705

IUPAC[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O6/c1-18(34-25(30)15-28-22-9-5-6-10-23(22)33-17-24(28)29)26(31)27-20-11-13-21(14-12-20)32-16-19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3,(H,27,31)
InChIKeyBQKMEBANQITXJW-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.56
Rot. Bonds8

About [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 55321705) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID55321705
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H24N2O6/c1-18(34-25(30)15-28-22-9-5-6-10-23(22)33-17-24(28)29)26(31)27-20-11-13-21(14-12-20)32-16-19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3,(H,27,31)
InChIKeyBQKMEBANQITXJW-UHFFFAOYSA-N
XLogP3.56
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate with MolForge

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Related Compounds

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 7737480
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630498
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630496
(4-benzamidophenyl) 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 26698654
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] (3S)-3-phenylbutanoate
CID 7227844
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 55321740
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 55321671
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9383275
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 648822
[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
CID 46792232

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (CID 55321705) is [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is CC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is BQKMEBANQITXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-18(34-25(30)15-28-22-9-5-6-10-23(22)33-17-24(28)29)26(31)27-20-11-13-21(14-12-20)32-16-19-7-3-2-4-8-19/h2-14,18H,15-17H2,1H3,(H,27,31).
What are the key properties of [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
[1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 460.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 55321705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).