2,4-dimethoxy-N-(2-methylpropyl)benzamide

C13H19NO3 — CID 789235

IUPAC2,4-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)C)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(2)8-14-13(15)11-6-5-10(16-3)7-12(11)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyANQJZAYIBOMBKB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.09
Rot. Bonds5

About 2,4-dimethoxy-N-(2-methylpropyl)benzamide

2,4-dimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 789235) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2-methylpropyl)benzamide
PubChem CID789235
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2,4-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCC(C)C)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(2)8-14-13(15)11-6-5-10(16-3)7-12(11)17-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyANQJZAYIBOMBKB-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(2-methylpropyl)benzamide (CID 789235) is 2,4-dimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(2-methylpropyl)benzamide is COc1ccc(C(=O)NCC(C)C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is ANQJZAYIBOMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)8-14-13(15)11-6-5-10(16-3)7-12(11)17-4/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of 2,4-dimethoxy-N-(2-methylpropyl)benzamide?
2,4-dimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 789235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).