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

C24H28N2O4 — CID 11944432

IUPACN'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H28N2O4/c27-23(16-19-15-17-10-11-18(19)14-17)25-26-24(28)21-8-4-5-9-22(21)30-13-12-29-20-6-2-1-3-7-20/h1-9,17-19H,10-16H2,(H,25,27)(H,26,28)/t17-,18+,19-/m0/s1
InChIKeyRRBSGBHZSVVYIX-OTWHNJEPSA-N
MW408.50 g/mol
LogP3.73
Rot. Bonds8

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

N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide (PubChem CID 11944432) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
PubChem CID11944432
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C24H28N2O4/c27-23(16-19-15-17-10-11-18(19)14-17)25-26-24(28)21-8-4-5-9-22(21)30-13-12-29-20-6-2-1-3-7-20/h1-9,17-19H,10-16H2,(H,25,27)(H,26,28)/t17-,18+,19-/m0/s1
InChIKeyRRBSGBHZSVVYIX-OTWHNJEPSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 115799934
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 11944434
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)ethoxy]benzoic acid
CID 103250950
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11929122
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932785
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
CID 11923494
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916727
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24540990
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
N'-hexanoyl-2-(2-phenoxyethoxy)benzohydrazide
CID 4955613

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide (CID 11944432) is N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide is O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is RRBSGBHZSVVYIX-OTWHNJEPSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-23(16-19-15-17-10-11-18(19)14-17)25-26-24(28)21-8-4-5-9-22(21)30-13-12-29-20-6-2-1-3-7-20/h1-9,17-19H,10-16H2,(H,25,27)(H,26,28)/t17-,18+,19-/m0/s1.
What are the key properties of N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide?
N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 408.50 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-2-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 11944432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).