N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide

C21H26N2O2 — CID 5286593

IUPACN'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-19(18-9-17(18)16-4-2-1-3-5-16)22-23-20(25)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,13-15,17-18H,6-12H2,(H,22,24)(H,23,25)/t13?,14?,15?,17-,18+,21?/m0/s1
InChIKeyPIPKSJQWWUXIRL-DGSGAQMOSA-N
MW338.45 g/mol
LogP3.15
Rot. Bonds3

About N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide

N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide (PubChem CID 5286593) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide
PubChem CID5286593
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-19(18-9-17(18)16-4-2-1-3-5-16)22-23-20(25)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,13-15,17-18H,6-12H2,(H,22,24)(H,23,25)/t13?,14?,15?,17-,18+,21?/m0/s1
InChIKeyPIPKSJQWWUXIRL-DGSGAQMOSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide (CID 5286593) is N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide?
The InChIKey is PIPKSJQWWUXIRL-DGSGAQMOSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-19(18-9-17(18)16-4-2-1-3-5-16)22-23-20(25)21-10-13-6-14(11-21)8-15(7-13)12-21/h1-5,13-15,17-18H,6-12H2,(H,22,24)(H,23,25)/t13?,14?,15?,17-,18+,21?/m0/s1.
What are the key properties of N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide?
N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide has a molecular weight of 338.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 5286593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).