2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide

C19H23NO2 — CID 57071243

IUPAC2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide
SMILESCCCc1ccc(COc2ccc(C(N)=O)c(C)c2C)cc1
InChIInChI=1S/C19H23NO2/c1-4-5-15-6-8-16(9-7-15)12-22-18-11-10-17(19(20)21)13(2)14(18)3/h6-11H,4-5,12H2,1-3H3,(H2,20,21)
InChIKeyTZOHAFIMEVPVPW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.93
Rot. Bonds6

About 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide

2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide (PubChem CID 57071243) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide
PubChem CID57071243
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide
SMILESCCCc1ccc(COc2ccc(C(N)=O)c(C)c2C)cc1
InChIInChI=1S/C19H23NO2/c1-4-5-15-6-8-16(9-7-15)12-22-18-11-10-17(19(20)21)13(2)14(18)3/h6-11H,4-5,12H2,1-3H3,(H2,20,21)
InChIKeyTZOHAFIMEVPVPW-UHFFFAOYSA-N
XLogP3.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide?
The IUPAC name of 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide (CID 57071243) is 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide.
What is the SMILES notation for 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide?
The canonical SMILES for 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide is CCCc1ccc(COc2ccc(C(N)=O)c(C)c2C)cc1.
What is the InChIKey of 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide?
The InChIKey is TZOHAFIMEVPVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-5-15-6-8-16(9-7-15)12-22-18-11-10-17(19(20)21)13(2)14(18)3/h6-11H,4-5,12H2,1-3H3,(H2,20,21).
What are the key properties of 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide?
2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(4-propylphenyl)methoxy]benzamide is sourced from PubChem (CID 57071243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).