2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide

C21H23N3O5 — CID 9236392

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C21H23N3O5/c1-14(2)15-7-3-5-9-17(15)28-12-20(26)23-22-19(25)11-24-16-8-4-6-10-18(16)29-13-21(24)27/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKZIPISXWFSDOJC-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.76
Rot. Bonds6

About 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide

2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide (PubChem CID 9236392) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
PubChem CID9236392
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C21H23N3O5/c1-14(2)15-7-3-5-9-17(15)28-12-20(26)23-22-19(25)11-24-16-8-4-6-10-18(16)29-13-21(24)27/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKZIPISXWFSDOJC-UHFFFAOYSA-N
XLogP1.76
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-ethoxyphenyl)sulfanylacetyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 9429427
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 9236472
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55656206
(2R)-2-(4-chlorophenyl)-3-methyl-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]butanehydrazide
CID 9225833
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
5-methoxy-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9225858
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
2-(3-fluorophenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]acetohydrazide
CID 9237538
(E)-3-(2-methylphenyl)-N'-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]prop-2-enehydrazide
CID 9236639

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide (CID 9236392) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide is CC(C)c1ccccc1OCC(=O)NNC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide?
The InChIKey is KZIPISXWFSDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-14(2)15-7-3-5-9-17(15)28-12-20(26)23-22-19(25)11-24-16-8-4-6-10-18(16)29-13-21(24)27/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide has a molecular weight of 397.43 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 9236392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).