2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide

C15H25N3O3 — CID 79790819

IUPAC2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCC(N)Cc1ccc(OCC(=O)NC(C)COC)cn1
InChIInChI=1S/C15H25N3O3/c1-4-12(16)7-13-5-6-14(8-17-13)21-10-15(19)18-11(2)9-20-3/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3,(H,18,19)
InChIKeyUJSMAOHPEDKNAJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.89
Rot. Bonds9

About 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 79790819) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID79790819
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCC(N)Cc1ccc(OCC(=O)NC(C)COC)cn1
InChIInChI=1S/C15H25N3O3/c1-4-12(16)7-13-5-6-14(8-17-13)21-10-15(19)18-11(2)9-20-3/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3,(H,18,19)
InChIKeyUJSMAOHPEDKNAJ-UHFFFAOYSA-N
XLogP0.89
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79775490
methyl 3-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-2,2-dimethylpropanoate
CID 79796345
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-methylacetamide
CID 79799713
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
2-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-(aminomethyl)-3-chlorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 102723824
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide (CID 79790819) is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide is CCC(N)Cc1ccc(OCC(=O)NC(C)COC)cn1.
What is the InChIKey of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is UJSMAOHPEDKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-12(16)7-13-5-6-14(8-17-13)21-10-15(19)18-11(2)9-20-3/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3,(H,18,19).
What are the key properties of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 79790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).