3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide

C21H27NO3 — CID 143166385

IUPAC3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide
SMILESCCCOc1c(C)cccc1C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-5-13-24-20-16(4)7-6-8-19(20)21(23)22-17-9-11-18(12-10-17)25-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,22,23)
InChIKeyWLXPNAMMQFSQFK-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.07
Rot. Bonds8

About 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide

3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide (PubChem CID 143166385) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide
PubChem CID143166385
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide
SMILESCCCOc1c(C)cccc1C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-5-13-24-20-16(4)7-6-8-19(20)21(23)22-17-9-11-18(12-10-17)25-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,22,23)
InChIKeyWLXPNAMMQFSQFK-UHFFFAOYSA-N
XLogP5.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide?
The IUPAC name of 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide (CID 143166385) is 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide?
The canonical SMILES for 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide is CCCOc1c(C)cccc1C(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide?
The InChIKey is WLXPNAMMQFSQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-13-24-20-16(4)7-6-8-19(20)21(23)22-17-9-11-18(12-10-17)25-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,22,23).
What are the key properties of 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide?
3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide has a molecular weight of 341.45 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methylpropoxy)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 143166385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).