N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide

C11H15N3O — CID 156811982

IUPACN-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
SMILES[H]/N=C/c1c(N)cccc1NC(=O)C(C)C
InChIInChI=1S/C11H15N3O/c1-7(2)11(15)14-10-5-3-4-9(13)8(10)6-12/h3-7,12H,13H2,1-2H3,(H,14,15)/b12-6+
InChIKeyDQCXKEBGDHCHSG-WUXMJOGZSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds3

About N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide

N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide (PubChem CID 156811982) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
PubChem CID156811982
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
SMILES[H]/N=C/c1c(N)cccc1NC(=O)C(C)C
InChIInChI=1S/C11H15N3O/c1-7(2)11(15)14-10-5-3-4-9(13)8(10)6-12/h3-7,12H,13H2,1-2H3,(H,14,15)/b12-6+
InChIKeyDQCXKEBGDHCHSG-WUXMJOGZSA-N
XLogP1.86
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide
CID 163775440
N-(2-aminophenyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide
CID 159487082
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
N-(2-formylphenyl)-2-methylpropanamide
CID 54327705
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-(3-amino-2-methanimidoylphenyl)-N'-[(1E,3E)-1-(methylamino)-2-(trifluoromethyl)hepta-1,3-dienyl]ethanimidamide
CID 176553239
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
CID 143557825
N-(2-amino-4-hydroxyphenyl)-2-methylpropanamide
CID 107697096
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
CID 61302211

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide?
The IUPAC name of N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide (CID 156811982) is N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide is [H]/N=C/c1c(N)cccc1NC(=O)C(C)C.
What is the InChIKey of N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide?
The InChIKey is DQCXKEBGDHCHSG-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)11(15)14-10-5-3-4-9(13)8(10)6-12/h3-7,12H,13H2,1-2H3,(H,14,15)/b12-6+.
What are the key properties of N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide?
N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide has a molecular weight of 205.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide is sourced from PubChem (CID 156811982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).