2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide

C20H25NO3 — CID 2188594

IUPAC2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide
SMILESCCCOc1ccc(CC(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-3-13-24-18-10-9-17(14-19(18)23-2)15-20(22)21-12-11-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,21,22)
InChIKeyYEWCITFPNNPQJO-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.39
Rot. Bonds9

About 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide

2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide (PubChem CID 2188594) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide
PubChem CID2188594
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide
SMILESCCCOc1ccc(CC(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-3-13-24-18-10-9-17(14-19(18)23-2)15-20(22)21-12-11-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,21,22)
InChIKeyYEWCITFPNNPQJO-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide (CID 2188594) is 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide is CCCOc1ccc(CC(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide?
The InChIKey is YEWCITFPNNPQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-13-24-18-10-9-17(14-19(18)23-2)15-20(22)21-12-11-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide?
2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propoxyphenyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2188594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).