2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide

C23H32N2O4 — CID 54498554

IUPAC2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide
SMILESCCOCCOc1ccc(C(O)CNCC(C)Cc2ccccc2)cc1C(N)=O
InChIInChI=1S/C23H32N2O4/c1-3-28-11-12-29-22-10-9-19(14-20(22)23(24)27)21(26)16-25-15-17(2)13-18-7-5-4-6-8-18/h4-10,14,17,21,25-26H,3,11-13,15-16H2,1-2H3,(H2,24,27)
InChIKeyYAVBIOCLDBGJJD-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.70
Rot. Bonds13

About 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide

2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide (PubChem CID 54498554) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide
PubChem CID54498554
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide
SMILESCCOCCOc1ccc(C(O)CNCC(C)Cc2ccccc2)cc1C(N)=O
InChIInChI=1S/C23H32N2O4/c1-3-28-11-12-29-22-10-9-19(14-20(22)23(24)27)21(26)16-25-15-17(2)13-18-7-5-4-6-8-18/h4-10,14,17,21,25-26H,3,11-13,15-16H2,1-2H3,(H2,24,27)
InChIKeyYAVBIOCLDBGJJD-UHFFFAOYSA-N
XLogP2.70
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide (CID 54498554) is 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide is CCOCCOc1ccc(C(O)CNCC(C)Cc2ccccc2)cc1C(N)=O.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide?
The InChIKey is YAVBIOCLDBGJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-3-28-11-12-29-22-10-9-19(14-20(22)23(24)27)21(26)16-25-15-17(2)13-18-7-5-4-6-8-18/h4-10,14,17,21,25-26H,3,11-13,15-16H2,1-2H3,(H2,24,27).
What are the key properties of 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide?
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 2.70, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide is sourced from PubChem (CID 54498554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).