N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide

C24H23N3O3 — CID 9226903

IUPACN',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
SMILESO=C(C[C@@H]1Oc2ccccc2NC1=O)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23N3O3/c28-23(15-22-24(29)25-20-13-7-8-14-21(20)30-22)26-27(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,22H,15-17H2,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKeyXZMVQGQZPHYEAX-QFIPXVFZSA-N
MW401.47 g/mol
LogP3.51
Rot. Bonds7

About N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide

N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide (PubChem CID 9226903) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
PubChem CID9226903
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
SMILESO=C(C[C@@H]1Oc2ccccc2NC1=O)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23N3O3/c28-23(15-22-24(29)25-20-13-7-8-14-21(20)30-22)26-27(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,22H,15-17H2,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKeyXZMVQGQZPHYEAX-QFIPXVFZSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42943383
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 8948495
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032844
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
N-(4-methylpiperazin-1-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205856
N-(4-methylpiperazin-1-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205859
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17488895
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9482274
N-[(4-methoxyphenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481010
N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]cyclohexanecarbohydrazide
CID 9327309

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide?
The IUPAC name of N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide (CID 9226903) is N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide.
What is the SMILES notation for N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide?
The canonical SMILES for N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide is O=C(C[C@@H]1Oc2ccccc2NC1=O)NN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide?
The InChIKey is XZMVQGQZPHYEAX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(15-22-24(29)25-20-13-7-8-14-21(20)30-22)26-27(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14,22H,15-17H2,(H,25,29)(H,26,28)/t22-/m0/s1.
What are the key properties of N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide?
N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide has a molecular weight of 401.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide is sourced from PubChem (CID 9226903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).