2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide

C19H22N2O4 — CID 24820026

IUPAC2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCCOc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-24-17-10-6-5-9-16(17)19(23)21-12-11-18(22)20-13-14-25-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyZMXUHEQMYPOZGJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.01
Rot. Bonds9

About 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide

2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide (PubChem CID 24820026) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
PubChem CID24820026
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCCOc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-24-17-10-6-5-9-16(17)19(23)21-12-11-18(22)20-13-14-25-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyZMXUHEQMYPOZGJ-UHFFFAOYSA-N
XLogP2.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Tcmdc-123621
CID 2400619

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide (CID 24820026) is 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
The InChIKey is ZMXUHEQMYPOZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-17-10-6-5-9-16(17)19(23)21-12-11-18(22)20-13-14-25-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide is sourced from PubChem (CID 24820026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).