2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide

C11H15NO4 — CID 43390117

IUPAC2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCO)c(O)c1
InChIInChI=1S/C11H15NO4/c1-16-8-3-4-9(10(14)7-8)11(15)12-5-2-6-13/h3-4,7,13-14H,2,5-6H2,1H3,(H,12,15)
InChIKeyCGUYFZPBFNBIAR-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.51
Rot. Bonds5

About 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide

2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide (PubChem CID 43390117) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
PubChem CID43390117
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCO)c(O)c1
InChIInChI=1S/C11H15NO4/c1-16-8-3-4-9(10(14)7-8)11(15)12-5-2-6-13/h3-4,7,13-14H,2,5-6H2,1H3,(H,12,15)
InChIKeyCGUYFZPBFNBIAR-UHFFFAOYSA-N
XLogP0.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide (CID 43390117) is 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCCCO)c(O)c1.
What is the InChIKey of 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide?
The InChIKey is CGUYFZPBFNBIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-8-3-4-9(10(14)7-8)11(15)12-5-2-6-13/h3-4,7,13-14H,2,5-6H2,1H3,(H,12,15).
What are the key properties of 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide?
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide has a molecular weight of 225.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide is sourced from PubChem (CID 43390117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).