N-(4-aminophenyl)-2-methoxyacetamide

C9H12N2O2 — CID 11019457

IUPACN-(4-aminophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyRLHBCXKHVSXMKY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.85
Rot. Bonds3

About N-(4-aminophenyl)-2-methoxyacetamide

N-(4-aminophenyl)-2-methoxyacetamide (PubChem CID 11019457) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methoxyacetamide
PubChem CID11019457
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(4-aminophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyRLHBCXKHVSXMKY-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methoxyacetamide?
The IUPAC name of N-(4-aminophenyl)-2-methoxyacetamide (CID 11019457) is N-(4-aminophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-methoxyacetamide?
The InChIKey is RLHBCXKHVSXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-6-9(12)11-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of N-(4-aminophenyl)-2-methoxyacetamide?
N-(4-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-(4-aminophenyl)-2-methoxyacetamide is sourced from PubChem (CID 11019457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).