N-(3-amino-4-methylphenyl)acetamide

C9H12N2O — CID 22865

IUPACN-(3-amino-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyRBQWGHBZCHFUQU-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.54
Rot. Bonds1

About N-(3-amino-4-methylphenyl)acetamide

N-(3-amino-4-methylphenyl)acetamide (PubChem CID 22865) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)acetamide
PubChem CID22865
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-(3-amino-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(C)c(N)c1
InChIInChI=1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyRBQWGHBZCHFUQU-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)acetamide (CID 22865) is N-(3-amino-4-methylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)acetamide is CC(=O)Nc1ccc(C)c(N)c1.
What is the InChIKey of N-(3-amino-4-methylphenyl)acetamide?
The InChIKey is RBQWGHBZCHFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of N-(3-amino-4-methylphenyl)acetamide?
N-(3-amino-4-methylphenyl)acetamide has a molecular weight of 164.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)acetamide is sourced from PubChem (CID 22865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).