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

C18H21N3O3 — CID 11923494

IUPAC2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C18H21N3O3/c19-10-14-3-1-2-4-16(14)24-11-18(23)21-20-17(22)9-15-8-12-5-6-13(15)7-12/h1-4,12-13,15H,5-9,11H2,(H,20,22)(H,21,23)/t12-,13+,15+/m0/s1
InChIKeySOHNYJWVOIGAJB-GZBFAFLISA-N
MW327.38 g/mol
LogP1.91
Rot. Bonds5

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

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide (PubChem CID 11923494) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
PubChem CID11923494
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C18H21N3O3/c19-10-14-3-1-2-4-16(14)24-11-18(23)21-20-17(22)9-15-8-12-5-6-13(15)7-12/h1-4,12-13,15H,5-9,11H2,(H,20,22)(H,21,23)/t12-,13+,15+/m0/s1
InChIKeySOHNYJWVOIGAJB-GZBFAFLISA-N
XLogP1.91
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.91
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

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8640098
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 11944432
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78843390
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24540990
N'-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]pyridine-4-carbohydrazide
CID 98605976
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
CID 63683358

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide (CID 11923494) is 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide?
The InChIKey is SOHNYJWVOIGAJB-GZBFAFLISA-N. The full InChI is InChI=1S/C18H21N3O3/c19-10-14-3-1-2-4-16(14)24-11-18(23)21-20-17(22)9-15-8-12-5-6-13(15)7-12/h1-4,12-13,15H,5-9,11H2,(H,20,22)(H,21,23)/t12-,13+,15+/m0/s1.
What are the key properties of 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide?
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide has a molecular weight of 327.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 11923494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).