N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide

C18H22N2O3 — CID 3146003

IUPACN'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(O)c1
InChIInChI=1S/C18H22N2O3/c21-15-3-1-2-14(7-15)16(22)19-20-17(23)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,21H,4-6,8-10H2,(H,19,22)(H,20,23)
InChIKeyWTOKLMCARPLLFY-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.37
Rot. Bonds2

About N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide

N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide (PubChem CID 3146003) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
PubChem CID3146003
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(O)c1
InChIInChI=1S/C18H22N2O3/c21-15-3-1-2-14(7-15)16(22)19-20-17(23)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,21H,4-6,8-10H2,(H,19,22)(H,20,23)
InChIKeyWTOKLMCARPLLFY-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dichlorobenzoyl)adamantane-1-carbohydrazide
CID 4285087
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
(5S,7R)-3-chloro-N'-(3-chlorobenzoyl)adamantane-1-carbohydrazide
CID 7742380
N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide
CID 7784436
N'-(tricyclo[4.3.1.13,8]undecane-1-carbonyl)pyridine-4-carbohydrazide chloride
CID 21235376
(5R,7R)-N'-benzoyl-3-chloroadamantane-1-carbohydrazide
CID 98390702
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide
CID 166407635
N'-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide
CID 3638454
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N'-(adamantane-1-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 3641175
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide?
The IUPAC name of N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide (CID 3146003) is N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide.
What is the SMILES notation for N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide?
The canonical SMILES for N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(O)c1.
What is the InChIKey of N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide?
The InChIKey is WTOKLMCARPLLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-15-3-1-2-14(7-15)16(22)19-20-17(23)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13,21H,4-6,8-10H2,(H,19,22)(H,20,23).
What are the key properties of N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide?
N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide has a molecular weight of 314.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide is sourced from PubChem (CID 3146003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).