2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide

C12H26N4O2 — CID 113293207

IUPAC2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-11(2,3)15-9(17)8-14-7-6-12(4,5)10(13)16-18/h14,18H,6-8H2,1-5H3,(H2,13,16)(H,15,17)
InChIKeyRKZZSDMEOZCJBU-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.65
Rot. Bonds6

About 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide

2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide (PubChem CID 113293207) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
PubChem CID113293207
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H26N4O2/c1-11(2,3)15-9(17)8-14-7-6-12(4,5)10(13)16-18/h14,18H,6-8H2,1-5H3,(H2,13,16)(H,15,17)
InChIKeyRKZZSDMEOZCJBU-UHFFFAOYSA-N
XLogP0.65
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
4-(2-ethylsulfinylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104867132
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
CID 106711556
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
CID 106148640
N'-hydroxy-2,2-dimethyl-4-(2,3,3-trimethylbutylamino)butanimidamide
CID 83144600
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide (CID 113293207) is 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNCCC(C)(C)C(N)=NO.
What is the InChIKey of 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide?
The InChIKey is RKZZSDMEOZCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-11(2,3)15-9(17)8-14-7-6-12(4,5)10(13)16-18/h14,18H,6-8H2,1-5H3,(H2,13,16)(H,15,17).
What are the key properties of 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide?
2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide has a molecular weight of 258.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 113293207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).