4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

C21H25NO3 — CID 4766911

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)cc1C
InChIInChI=1S/C21H25NO3/c1-15-5-10-19(12-16(15)2)25-14-17-6-8-18(9-7-17)21(23)22-13-20-4-3-11-24-20/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,22,23)
InChIKeyRIZBHOZNWMCOHG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds6

About 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4766911) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4766911
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)cc1C
InChIInChI=1S/C21H25NO3/c1-15-5-10-19(12-16(15)2)25-14-17-6-8-18(9-7-17)21(23)22-13-20-4-3-11-24-20/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,22,23)
InChIKeyRIZBHOZNWMCOHG-UHFFFAOYSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2853045

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 4766911) is 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(OCc2ccc(C(=O)NCC3CCCO3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RIZBHOZNWMCOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-5-10-19(12-16(15)2)25-14-17-6-8-18(9-7-17)21(23)22-13-20-4-3-11-24-20/h5-10,12,20H,3-4,11,13-14H2,1-2H3,(H,22,23).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4766911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).