4-acetamido-N-(3-ethoxypropyl)benzamide

C14H20N2O3 — CID 2163021

IUPAC4-acetamido-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-19-10-4-9-15-14(18)12-5-7-13(8-6-12)16-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQRFJGNUOHXUILS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds7

About 4-acetamido-N-(3-ethoxypropyl)benzamide

4-acetamido-N-(3-ethoxypropyl)benzamide (PubChem CID 2163021) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-acetamido-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-ethoxypropyl)benzamide
PubChem CID2163021
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-acetamido-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-19-10-4-9-15-14(18)12-5-7-13(8-6-12)16-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQRFJGNUOHXUILS-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
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-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-acetamido-N-(3-ethoxypropyl)benzamide (CID 2163021) is 4-acetamido-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-acetamido-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-(3-ethoxypropyl)benzamide?
The InChIKey is QRFJGNUOHXUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-10-4-9-15-14(18)12-5-7-13(8-6-12)16-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-acetamido-N-(3-ethoxypropyl)benzamide?
4-acetamido-N-(3-ethoxypropyl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 2163021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).