2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide

C19H24N2O3 — CID 170891318

IUPAC2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H24N2O3/c1-13-6-4-5-7-16(13)21-19(22)12-24-17-9-8-15(10-14(2)20)11-18(17)23-3/h4-9,11,14H,10,12,20H2,1-3H3,(H,21,22)
InChIKeyQEAKVUAADRWOLN-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.91
Rot. Bonds7

About 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide

2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 170891318) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
PubChem CID170891318
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
SMILESCOc1cc(CC(C)N)ccc1OCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H24N2O3/c1-13-6-4-5-7-16(13)21-19(22)12-24-17-9-8-15(10-14(2)20)11-18(17)23-3/h4-9,11,14H,10,12,20H2,1-3H3,(H,21,22)
InChIKeyQEAKVUAADRWOLN-UHFFFAOYSA-N
XLogP2.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide (CID 170891318) is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide is COc1cc(CC(C)N)ccc1OCC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is QEAKVUAADRWOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-4-5-7-16(13)21-19(22)12-24-17-9-8-15(10-14(2)20)11-18(17)23-3/h4-9,11,14H,10,12,20H2,1-3H3,(H,21,22).
What are the key properties of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide?
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 170891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).