3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide

C15H23N3O2 — CID 76919712

IUPAC3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-5-10-8-7-9-11(6-2)12(10)17-14(19)15(3,4)13(16)18-20/h7-9,20H,5-6H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyYZRPEVDLJXVSOR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.52
Rot. Bonds5

About 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76919712) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76919712
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-5-10-8-7-9-11(6-2)12(10)17-14(19)15(3,4)13(16)18-20/h7-9,20H,5-6H2,1-4H3,(H2,16,18)(H,17,19)
InChIKeyYZRPEVDLJXVSOR-UHFFFAOYSA-N
XLogP2.52
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.52
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

3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
CID 107811795
3-(2-ethyl-6-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82814205
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 107645731
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
N-tert-butyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108965978
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756969
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
N-(2,6-diethylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961095
2-[[amino-(2,6-diethylanilino)methylidene]amino]-N-tert-butylacetamide
CID 111034562
3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 83087993

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 76919712) is 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide is CCc1cccc(CC)c1NC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is YZRPEVDLJXVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-10-8-7-9-11(6-2)12(10)17-14(19)15(3,4)13(16)18-20/h7-9,20H,5-6H2,1-4H3,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76919712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).