2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

C21H28N2O3 — CID 170889623

IUPAC2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(CC(N)CC)ccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H28N2O3/c1-4-17(22)12-16-9-10-19(20(13-16)25-5-2)26-14-21(24)23-18-8-6-7-15(3)11-18/h6-11,13,17H,4-5,12,14,22H2,1-3H3,(H,23,24)
InChIKeyBJLKRHYKPBMANG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.69
Rot. Bonds9

About 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 170889623) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
PubChem CID170889623
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(CC(N)CC)ccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C21H28N2O3/c1-4-17(22)12-16-9-10-19(20(13-16)25-5-2)26-14-21(24)23-18-8-6-7-15(3)11-18/h6-11,13,17H,4-5,12,14,22H2,1-3H3,(H,23,24)
InChIKeyBJLKRHYKPBMANG-UHFFFAOYSA-N
XLogP3.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,3-dimethylanilino)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126259568
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 170889603
2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 12005234
[4-(2-aminobutyl)-2-ethoxyphenyl] acetate
CID 170889343
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51993011
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2986175
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
CID 170889634
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(3-methylphenyl)thiourea
CID 8659242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide (CID 170889623) is 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(CC(N)CC)ccc1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is BJLKRHYKPBMANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-17(22)12-16-9-10-19(20(13-16)25-5-2)26-14-21(24)23-18-8-6-7-15(3)11-18/h6-11,13,17H,4-5,12,14,22H2,1-3H3,(H,23,24).
What are the key properties of 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide?
2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 170889623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).