3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide

C16H27N3O2 — CID 79988898

IUPAC3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-10(12(17)19-21)13(20)18-16-6-11-4-14(2,8-16)7-15(3,5-11)9-16/h10-11,21H,4-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyCGMAIZTZSDPHKM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.23
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide

3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 79988898) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
PubChem CID79988898
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-10(12(17)19-21)13(20)18-16-6-11-4-14(2,8-16)7-15(3,5-11)9-16/h10-11,21H,4-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyCGMAIZTZSDPHKM-UHFFFAOYSA-N
XLogP2.23
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.23
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 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide (CID 79988898) is 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2)C(N)=NO.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is CGMAIZTZSDPHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(12(17)19-21)13(20)18-16-6-11-4-14(2,8-16)7-15(3,5-11)9-16/h10-11,21H,4-9H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide?
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 293.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 79988898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).