2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide

C16H27N3O2 — CID 79989120

IUPAC2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-15(2,14(17)19-21)18-13(20)9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12,21H,3-9H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPZTSHMDPJIWIGE-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.23
Rot. Bonds4

About 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide

2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide (PubChem CID 79989120) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
PubChem CID79989120
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-15(2,14(17)19-21)18-13(20)9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12,21H,3-9H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyPZTSHMDPJIWIGE-UHFFFAOYSA-N
XLogP2.23
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-(1-adamantyl)-N-(1-bromo-2-methylpropan-2-yl)acetamide
CID 113274075
2-(1-adamantyl)-N-[1-chloro-2-(chloromethyl)butan-2-yl]acetamide
CID 107867700
2-(1-adamantyl)-N-(1-bromo-3-methylpentan-3-yl)acetamide
CID 106168897
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108539787
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
N,2-bis(1-adamantyl)acetamide
CID 3906383
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 77057759
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide (CID 79989120) is 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide is CC(C)(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide?
The InChIKey is PZTSHMDPJIWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(2,14(17)19-21)18-13(20)9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12,21H,3-9H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide?
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 79989120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).