4-acetamido-N-(2-methoxyethyl)benzamide

C12H16N2O3 — CID 2164596

IUPAC4-acetamido-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-11-5-3-10(4-6-11)12(16)13-7-8-17-2/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySLNZOJDVJKGVRO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.02
Rot. Bonds5

About 4-acetamido-N-(2-methoxyethyl)benzamide

4-acetamido-N-(2-methoxyethyl)benzamide (PubChem CID 2164596) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-acetamido-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-methoxyethyl)benzamide
PubChem CID2164596
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-acetamido-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9(15)14-11-5-3-10(4-6-11)12(16)13-7-8-17-2/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeySLNZOJDVJKGVRO-UHFFFAOYSA-N
XLogP1.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-methoxyethyl)benzamide (CID 2164596) is 4-acetamido-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-(2-methoxyethyl)benzamide?
The InChIKey is SLNZOJDVJKGVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)14-11-5-3-10(4-6-11)12(16)13-7-8-17-2/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-acetamido-N-(2-methoxyethyl)benzamide?
4-acetamido-N-(2-methoxyethyl)benzamide has a molecular weight of 236.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2164596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).