3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide

C13H20N4O2 — CID 76920623

IUPAC3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C(N)=NO)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,11(14)16-19)12(18)15-9-5-7-10(8-6-9)17(3)4/h5-8,19H,1-4H3,(H2,14,16)(H,15,18)
InChIKeyHDCMKKJYLKJFHK-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76920623) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76920623
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C(N)=NO)cc1
InChIInChI=1S/C13H20N4O2/c1-13(2,11(14)16-19)12(18)15-9-5-7-10(8-6-9)17(3)4/h5-8,19H,1-4H3,(H2,14,16)(H,15,18)
InChIKeyHDCMKKJYLKJFHK-UHFFFAOYSA-N
XLogP1.46
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
N'-[4-(dimethylamino)phenyl]-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965752
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919747
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(dimethylamino)phenyl]-2,2-dimethylpropanediamide
CID 108969885
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide (CID 76920623) is 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide is CN(C)c1ccc(NC(=O)C(C)(C)C(N)=NO)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is HDCMKKJYLKJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,11(14)16-19)12(18)15-9-5-7-10(8-6-9)17(3)4/h5-8,19H,1-4H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76920623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).