2-amino-N-ethenyl-4-methylbenzamide

C10H12N2O — CID 143815920

IUPAC2-amino-N-ethenyl-4-methylbenzamide
SMILESC=CNC(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H12N2O/c1-3-12-10(13)8-5-4-7(2)6-9(8)11/h3-6H,1,11H2,2H3,(H,12,13)
InChIKeyCYRUKUGAPQELAI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-N-ethenyl-4-methylbenzamide

2-amino-N-ethenyl-4-methylbenzamide (PubChem CID 143815920) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-N-ethenyl-4-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-ethenyl-4-methylbenzamide
PubChem CID143815920
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-N-ethenyl-4-methylbenzamide
SMILESC=CNC(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H12N2O/c1-3-12-10(13)8-5-4-7(2)6-9(8)11/h3-6H,1,11H2,2H3,(H,12,13)
InChIKeyCYRUKUGAPQELAI-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten
CID 166038845
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N-ethenyl-4-methylbenzamide
CID 22624715
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829925
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
CID 83025059
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid
CID 142087140
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
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2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethenyl-4-methylbenzamide?
The IUPAC name of 2-amino-N-ethenyl-4-methylbenzamide (CID 143815920) is 2-amino-N-ethenyl-4-methylbenzamide.
What is the SMILES notation for 2-amino-N-ethenyl-4-methylbenzamide?
The canonical SMILES for 2-amino-N-ethenyl-4-methylbenzamide is C=CNC(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-N-ethenyl-4-methylbenzamide?
The InChIKey is CYRUKUGAPQELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-12-10(13)8-5-4-7(2)6-9(8)11/h3-6H,1,11H2,2H3,(H,12,13).
What are the key properties of 2-amino-N-ethenyl-4-methylbenzamide?
2-amino-N-ethenyl-4-methylbenzamide has a molecular weight of 176.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethenyl-4-methylbenzamide is sourced from PubChem (CID 143815920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).