2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide

C21H27NO3 — CID 46778407

IUPAC2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27NO3/c1-5-19(25-20-9-7-8-15(3)16(20)4)21(23)22-14-17-10-12-18(13-11-17)24-6-2/h7-13,19H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyJXAHSYGWESWXEA-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.18
Rot. Bonds8

About 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide

2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide (PubChem CID 46778407) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
PubChem CID46778407
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C21H27NO3/c1-5-19(25-20-9-7-8-15(3)16(20)4)21(23)22-14-17-10-12-18(13-11-17)24-6-2/h7-13,19H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyJXAHSYGWESWXEA-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide (CID 46778407) is 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide is CCOc1ccc(CNC(=O)C(CC)Oc2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The InChIKey is JXAHSYGWESWXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-19(25-20-9-7-8-15(3)16(20)4)21(23)22-14-17-10-12-18(13-11-17)24-6-2/h7-13,19H,5-6,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 46778407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).