N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide

C11H14N2O — CID 143701091

IUPACN-(2-methanimidoyl-4,5-dimethylphenyl)acetamide
SMILES[H]/N=C/c1cc(C)c(C)cc1NC(C)=O
InChIInChI=1S/C11H14N2O/c1-7-4-10(6-12)11(5-8(7)2)13-9(3)14/h4-6,12H,1-3H3,(H,13,14)/b12-6+
InChIKeyZDYSSTYXJSNSSU-WUXMJOGZSA-N
MW190.25 g/mol
LogP2.26
Rot. Bonds2

About N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide

N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide (PubChem CID 143701091) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-methanimidoyl-4,5-dimethylphenyl)acetamide
PubChem CID143701091
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(2-methanimidoyl-4,5-dimethylphenyl)acetamide
SMILES[H]/N=C/c1cc(C)c(C)cc1NC(C)=O
InChIInChI=1S/C11H14N2O/c1-7-4-10(6-12)11(5-8(7)2)13-9(3)14/h4-6,12H,1-3H3,(H,13,14)/b12-6+
InChIKeyZDYSSTYXJSNSSU-WUXMJOGZSA-N
XLogP2.26
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methanimidoyl-3-N,6-dimethylbenzene-1,3-diamine
CID 146283933
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-[4-[4-(1,3-dioxolan-2-yl)phenoxy]-2-methanimidoylphenyl]acetamide
CID 143445598
dimethyl (E)-2-(2-acetamido-4,5-dimethylanilino)but-2-enedioate
CID 168566046
N-(5-formyl-2-methoxy-3-methylphenyl)acetamide
CID 84779465
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
N-(3-formyl-2-methoxy-4,5-dimethylphenyl)acetamide
CID 84787877
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
CID 17099992
2-methanimidoyl-6-methylbenzohydrazide
CID 23023809
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808

Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide?
The IUPAC name of N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide (CID 143701091) is N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide is [H]/N=C/c1cc(C)c(C)cc1NC(C)=O.
What is the InChIKey of N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide?
The InChIKey is ZDYSSTYXJSNSSU-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-10(6-12)11(5-8(7)2)13-9(3)14/h4-6,12H,1-3H3,(H,13,14)/b12-6+.
What are the key properties of N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide?
N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide has a molecular weight of 190.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoyl-4,5-dimethylphenyl)acetamide is sourced from PubChem (CID 143701091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).