2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide

C21H26N2O4 — CID 91937890

IUPAC2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCCN3CCOCC3)cc2O)c1
InChIInChI=1S/C21H26N2O4/c1-16-4-2-5-17(14-16)22-21(25)19-7-6-18(15-20(19)24)27-11-3-8-23-9-12-26-13-10-23/h2,4-7,14-15,24H,3,8-13H2,1H3,(H,22,25)
InChIKeyJLXKFKDKZOCFJQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.05
Rot. Bonds7

About 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide

2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide (PubChem CID 91937890) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide
PubChem CID91937890
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCCN3CCOCC3)cc2O)c1
InChIInChI=1S/C21H26N2O4/c1-16-4-2-5-17(14-16)22-21(25)19-7-6-18(15-20(19)24)27-11-3-8-23-9-12-26-13-10-23/h2,4-7,14-15,24H,3,8-13H2,1H3,(H,22,25)
InChIKeyJLXKFKDKZOCFJQ-UHFFFAOYSA-N
XLogP3.05
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide?
The IUPAC name of 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide (CID 91937890) is 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide?
The canonical SMILES for 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide is Cc1cccc(NC(=O)c2ccc(OCCCN3CCOCC3)cc2O)c1.
What is the InChIKey of 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide?
The InChIKey is JLXKFKDKZOCFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16-4-2-5-17(14-16)22-21(25)19-7-6-18(15-20(19)24)27-11-3-8-23-9-12-26-13-10-23/h2,4-7,14-15,24H,3,8-13H2,1H3,(H,22,25).
What are the key properties of 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide?
2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylphenyl)-4-(3-morpholin-4-ylpropoxy)benzamide is sourced from PubChem (CID 91937890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).