2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide

C20H26N2O3 — CID 109000681

IUPAC2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccccc1CCNCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C20H26N2O3/c1-15(2)25-19-11-7-5-9-17(19)22-20(23)14-21-13-12-16-8-4-6-10-18(16)24-3/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyLRQSLLXKWVHUBK-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds9

About 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 109000681) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID109000681
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccccc1CCNCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C20H26N2O3/c1-15(2)25-19-11-7-5-9-17(19)22-20(23)14-21-13-12-16-8-4-6-10-18(16)24-3/h4-11,15,21H,12-14H2,1-3H3,(H,22,23)
InChIKeyLRQSLLXKWVHUBK-UHFFFAOYSA-N
XLogP3.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 109000681) is 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide is COc1ccccc1CCNCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is LRQSLLXKWVHUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(2)25-19-11-7-5-9-17(19)22-20(23)14-21-13-12-16-8-4-6-10-18(16)24-3/h4-11,15,21H,12-14H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 109000681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).