N'-butanoyladamantane-1-carbohydrazide

C15H24N2O2 — CID 24538351

IUPACN'-butanoyladamantane-1-carbohydrazide
SMILESCCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O2/c1-2-3-13(18)16-17-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,2-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyVFKIHNPVWGHBDN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds3

About N'-butanoyladamantane-1-carbohydrazide

N'-butanoyladamantane-1-carbohydrazide (PubChem CID 24538351) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-butanoyladamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-butanoyladamantane-1-carbohydrazide
PubChem CID24538351
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN'-butanoyladamantane-1-carbohydrazide
SMILESCCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2O2/c1-2-3-13(18)16-17-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,2-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyVFKIHNPVWGHBDN-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
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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Related Compounds

N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
N'-(2-methylpropanoyl)adamantane-1-carbohydrazide
CID 2869304
N'-[5-(dithiolan-3-yl)pentanoyl]adamantane-1-carbohydrazide
CID 24640760
N'-[3-(4-fluorophenyl)sulfanylpropanoyl]adamantane-1-carbohydrazide
CID 7978661
1-(1-adamantyl)pentan-1-one
CID 526927
N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
CID 2869572
N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
CID 9020837
N'-[2-(2-butan-2-ylphenoxy)acetyl]adamantane-1-carbohydrazide
CID 42931140
N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 27550113
N-heptan-2-yladamantane-1-carboxamide
CID 4093732
1-(1-adamantyl)heptan-1-one
CID 12572511
1-(1-adamantyl)hexadecan-1-one
CID 68814604

Frequently Asked Questions

What is the IUPAC name of N'-butanoyladamantane-1-carbohydrazide?
The IUPAC name of N'-butanoyladamantane-1-carbohydrazide (CID 24538351) is N'-butanoyladamantane-1-carbohydrazide.
What is the SMILES notation for N'-butanoyladamantane-1-carbohydrazide?
The canonical SMILES for N'-butanoyladamantane-1-carbohydrazide is CCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-butanoyladamantane-1-carbohydrazide?
The InChIKey is VFKIHNPVWGHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-13(18)16-17-14(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,2-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-butanoyladamantane-1-carbohydrazide?
N'-butanoyladamantane-1-carbohydrazide has a molecular weight of 264.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyladamantane-1-carbohydrazide is sourced from PubChem (CID 24538351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).