2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide

C20H24N2O4 — CID 56661819

IUPAC2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1O
InChIInChI=1S/C20H24N2O4/c23-16-6-3-5-15(13-16)21-20(25)18-8-7-17(14-19(18)24)26-12-4-11-22-9-1-2-10-22/h3,5-8,13-14,23-24H,1-2,4,9-12H2,(H,21,25)
InChIKeyKQQZSUCDRHHIEY-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.21
Rot. Bonds7

About 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide

2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (PubChem CID 56661819) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
PubChem CID56661819
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1O
InChIInChI=1S/C20H24N2O4/c23-16-6-3-5-15(13-16)21-20(25)18-8-7-17(14-19(18)24)26-12-4-11-22-9-1-2-10-22/h3,5-8,13-14,23-24H,1-2,4,9-12H2,(H,21,25)
InChIKeyKQQZSUCDRHHIEY-UHFFFAOYSA-N
XLogP3.21
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.21
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-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide (CID 56661819) is 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is O=C(Nc1cccc(O)c1)c1ccc(OCCCN2CCCC2)cc1O.
What is the InChIKey of 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
The InChIKey is KQQZSUCDRHHIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-16-6-3-5-15(13-16)21-20(25)18-8-7-17(14-19(18)24)26-12-4-11-22-9-1-2-10-22/h3,5-8,13-14,23-24H,1-2,4,9-12H2,(H,21,25).
What are the key properties of 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide?
2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide has a molecular weight of 356.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxyphenyl)-4-(3-pyrrolidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 56661819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).