N-(3-aminophenyl)-2-methoxyacetamide

C9H12N2O2 — CID 11137720

IUPACN-(3-aminophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyQICBWWXNGYJZAX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.85
Rot. Bonds3

About N-(3-aminophenyl)-2-methoxyacetamide

N-(3-aminophenyl)-2-methoxyacetamide (PubChem CID 11137720) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-methoxyacetamide
PubChem CID11137720
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(3-aminophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyQICBWWXNGYJZAX-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
[2-(3-aminoanilino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 129217279
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
methyl 4-(3-aminoanilino)-2,2-dimethyl-4-oxobutanoate
CID 13456459
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
N-(3-aminophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 43345548
N-(3-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24701706
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
CID 104706751
N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 107722743
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-methoxyacetamide?
The IUPAC name of N-(3-aminophenyl)-2-methoxyacetamide (CID 11137720) is N-(3-aminophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-methoxyacetamide is COCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-methoxyacetamide?
The InChIKey is QICBWWXNGYJZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of N-(3-aminophenyl)-2-methoxyacetamide?
N-(3-aminophenyl)-2-methoxyacetamide has a molecular weight of 180.21 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-methoxyacetamide is sourced from PubChem (CID 11137720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).