N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide

C15H25N3O2 — CID 76920651

IUPACN-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-14(2,12(16)18-20)13(19)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11,20H,3-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDYBPMHGEWFGODF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds3

About N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide

N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76920651) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76920651
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C15H25N3O2/c1-14(2,12(16)18-20)13(19)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11,20H,3-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDYBPMHGEWFGODF-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide (CID 76920651) is N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)NC12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is DYBPMHGEWFGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2,12(16)18-20)13(19)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11,20H,3-8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide?
N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-amino-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76920651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).