4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide

C18H19NO3 — CID 847774

IUPAC4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccc(C)cc1)OCO2
InChIInChI=1S/C18H19NO3/c1-3-4-14-9-16-17(22-11-21-16)10-15(14)19-18(20)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyRQZOLORUQSWUBE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.93
Rot. Bonds4

About 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide

4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 847774) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID847774
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide
SMILESCCCc1cc2c(cc1NC(=O)c1ccc(C)cc1)OCO2
InChIInChI=1S/C18H19NO3/c1-3-4-14-9-16-17(22-11-21-16)10-15(14)19-18(20)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyRQZOLORUQSWUBE-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide (CID 847774) is 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is CCCc1cc2c(cc1NC(=O)c1ccc(C)cc1)OCO2.
What is the InChIKey of 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is RQZOLORUQSWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-4-14-9-16-17(22-11-21-16)10-15(14)19-18(20)13-7-5-12(2)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide?
4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-propyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 847774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).