N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide

C11H23N3O3 — CID 103022109

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H23N3O3/c1-8(6-9(12)13-16)14(4)10(15)7-11(2,3)17-5/h8,16H,6-7H2,1-5H3,(H2,12,13)
InChIKeyKZGDZPJLRUIOPS-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.78
Rot. Bonds6

About N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103022109) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103022109
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H23N3O3/c1-8(6-9(12)13-16)14(4)10(15)7-11(2,3)17-5/h8,16H,6-7H2,1-5H3,(H2,12,13)
InChIKeyKZGDZPJLRUIOPS-UHFFFAOYSA-N
XLogP0.78
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide
CID 103022110
N-(1-cyanopropan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103020178
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211595
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015069
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
CID 76987836
1-(4-amino-4-hydroxyiminobutan-2-yl)-1-methyl-3-propan-2-ylurea
CID 76987840
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 76912505
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylbenzamide
CID 76987704
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide
CID 79808249

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide (CID 103022109) is N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is KZGDZPJLRUIOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(6-9(12)13-16)14(4)10(15)7-11(2,3)17-5/h8,16H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 245.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103022109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).