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3-methyl-4-(3-methylphenoxy)-2-propylbenzamide

C18H21NO2 — CID 158032751

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-4-(3-methylphenoxy)-2-propylbenzamide
SMILESCCCc1c(C(N)=O)ccc(Oc2cccc(C)c2)c1C
InChIInChI=1S/C18H21NO2/c1-4-6-15-13(3)17(10-9-16(15)18(19)20)21-14-8-5-7-12(2)11-14/h5,7-11H,4,6H2,1-3H3,(H2,19,20)
InChIKeyAOPUYQPENXELEV-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.15
Rot. Bonds5

About 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide

3-methyl-4-(3-methylphenoxy)-2-propylbenzamide (PubChem CID 158032751) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide.

Molecular Properties

Compound Name3-methyl-4-(3-methylphenoxy)-2-propylbenzamide
PubChem CID158032751
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-methyl-4-(3-methylphenoxy)-2-propylbenzamide
SMILESCCCc1c(C(N)=O)ccc(Oc2cccc(C)c2)c1C
InChIInChI=1S/C18H21NO2/c1-4-6-15-13(3)17(10-9-16(15)18(19)20)21-14-8-5-7-12(2)11-14/h5,7-11H,4,6H2,1-3H3,(H2,19,20)
InChIKeyAOPUYQPENXELEV-UHFFFAOYSA-N
XLogP4.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide?
The IUPAC name of 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide (CID 158032751) is 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide.
What is the SMILES notation for 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide?
The canonical SMILES for 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide is CCCc1c(C(N)=O)ccc(Oc2cccc(C)c2)c1C.
What is the InChIKey of 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide?
The InChIKey is AOPUYQPENXELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-6-15-13(3)17(10-9-16(15)18(19)20)21-14-8-5-7-12(2)11-14/h5,7-11H,4,6H2,1-3H3,(H2,19,20).
What are the key properties of 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide?
3-methyl-4-(3-methylphenoxy)-2-propylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylphenoxy)-2-propylbenzamide is sourced from PubChem (CID 158032751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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