2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

C23H26N2O3 — CID 11944434

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C23H26N2O3/c26-22(14-19-13-16-10-11-18(19)12-16)24-25-23(27)15-28-21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-9,16,18-19H,10-15H2,(H,24,26)(H,25,27)/t16-,18+,19-/m0/s1
InChIKeyHRXQDTMRHYUPSF-UHOSZYNNSA-N
MW378.47 g/mol
LogP3.71
Rot. Bonds6

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 11944434) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID11944434
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C23H26N2O3/c26-22(14-19-13-16-10-11-18(19)12-16)24-25-23(27)15-28-21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-9,16,18-19H,10-15H2,(H,24,26)(H,25,27)/t16-,18+,19-/m0/s1
InChIKeyHRXQDTMRHYUPSF-UHOSZYNNSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
CID 11923494
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24540990
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 11944432
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978371
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78843390
2-[(3S)-5-oxooxolan-3-yl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 97016479

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 11944434) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is HRXQDTMRHYUPSF-UHOSZYNNSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(14-19-13-16-10-11-18(19)12-16)24-25-23(27)15-28-21-9-5-4-8-20(21)17-6-2-1-3-7-17/h1-9,16,18-19H,10-15H2,(H,24,26)(H,25,27)/t16-,18+,19-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 378.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 11944434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).