N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide

C10H21N3O3 — CID 103022110

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C10H21N3O3/c1-7(6-8(11)12-15)13(4)9(14)10(2,3)16-5/h7,15H,6H2,1-5H3,(H2,11,12)
InChIKeyYJJGZWXLLMTPSH-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.39
Rot. Bonds5

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

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103022110) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide
PubChem CID103022110
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C10H21N3O3/c1-7(6-8(11)12-15)13(4)9(14)10(2,3)16-5/h7,15H,6H2,1-5H3,(H2,11,12)
InChIKeyYJJGZWXLLMTPSH-UHFFFAOYSA-N
XLogP0.39
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.39
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)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211595
(3Z)-3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide
CID 61455705
3-amino-3-hydroxyimino-N-(1-methoxypropan-2-yl)-N-methylpropanamide
CID 76904496
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxyacetamide
CID 76910477
N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide
CID 76910557
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-ethylacetamide
CID 76910705
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methoxyacetamide
CID 76910729
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide
CID 76910895
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methoxy-N-methylacetamide
CID 76910945
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-propan-2-ylacetamide
CID 76911488
N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-propan-2-ylacetamide
CID 76911575
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-methoxyacetamide
CID 76911765

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide (CID 103022110) is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is YJJGZWXLLMTPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(6-8(11)12-15)13(4)9(14)10(2,3)16-5/h7,15H,6H2,1-5H3,(H2,11,12).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 0.39, 5 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)-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103022110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).