4-hydroxy-3,5-dimethoxy-2-propylbenzamide

C12H17NO4 — CID 166451177

IUPAC4-hydroxy-3,5-dimethoxy-2-propylbenzamide
SMILESCCCc1c(C(N)=O)cc(OC)c(O)c1OC
InChIInChI=1S/C12H17NO4/c1-4-5-7-8(12(13)15)6-9(16-2)10(14)11(7)17-3/h6,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyKXERJWBVGNPYBX-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.46
Rot. Bonds5

About 4-hydroxy-3,5-dimethoxy-2-propylbenzamide

4-hydroxy-3,5-dimethoxy-2-propylbenzamide (PubChem CID 166451177) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxy-2-propylbenzamide.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxy-2-propylbenzamide
PubChem CID166451177
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name4-hydroxy-3,5-dimethoxy-2-propylbenzamide
SMILESCCCc1c(C(N)=O)cc(OC)c(O)c1OC
InChIInChI=1S/C12H17NO4/c1-4-5-7-8(12(13)15)6-9(16-2)10(14)11(7)17-3/h6,14H,4-5H2,1-3H3,(H2,13,15)
InChIKeyKXERJWBVGNPYBX-UHFFFAOYSA-N
XLogP1.46
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxy-2-propylbenzamide?
The IUPAC name of 4-hydroxy-3,5-dimethoxy-2-propylbenzamide (CID 166451177) is 4-hydroxy-3,5-dimethoxy-2-propylbenzamide.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxy-2-propylbenzamide?
The canonical SMILES for 4-hydroxy-3,5-dimethoxy-2-propylbenzamide is CCCc1c(C(N)=O)cc(OC)c(O)c1OC.
What is the InChIKey of 4-hydroxy-3,5-dimethoxy-2-propylbenzamide?
The InChIKey is KXERJWBVGNPYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-5-7-8(12(13)15)6-9(16-2)10(14)11(7)17-3/h6,14H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 4-hydroxy-3,5-dimethoxy-2-propylbenzamide?
4-hydroxy-3,5-dimethoxy-2-propylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxy-2-propylbenzamide is sourced from PubChem (CID 166451177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).