2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide

C12H17NO4 — CID 43090058

IUPAC2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H17NO4/c1-16-7-3-6-13-12(15)10-5-4-9(17-2)8-11(10)14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyKELUKONDWFSBRQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.17
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide

2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide (PubChem CID 43090058) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
PubChem CID43090058
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H17NO4/c1-16-7-3-6-13-12(15)10-5-4-9(17-2)8-11(10)14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyKELUKONDWFSBRQ-UHFFFAOYSA-N
XLogP1.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.17
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

2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56783961
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide (CID 43090058) is 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(OC)cc1O.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide?
The InChIKey is KELUKONDWFSBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-16-7-3-6-13-12(15)10-5-4-9(17-2)8-11(10)14/h4-5,8,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide?
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide has a molecular weight of 239.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 43090058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).