2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

C20H20N2O5 — CID 97016479

IUPAC2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1COC(=O)C1
InChIInChI=1S/C20H20N2O5/c23-18(10-14-11-20(25)27-12-14)21-22-19(24)13-26-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyMDFZVUNXFACFDN-AWEZNQCLSA-N
MW368.39 g/mol
LogP1.83
Rot. Bonds6

About 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 97016479) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID97016479
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1COC(=O)C1
InChIInChI=1S/C20H20N2O5/c23-18(10-14-11-20(25)27-12-14)21-22-19(24)13-26-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyMDFZVUNXFACFDN-AWEZNQCLSA-N
XLogP1.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.83
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

2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[2-(2-phenylphenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 7978348
3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978371
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 97016479) is 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1COC(=O)C1.
What is the InChIKey of 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is MDFZVUNXFACFDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(10-14-11-20(25)27-12-14)21-22-19(24)13-26-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 368.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 97016479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).