2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide

C15H24N2O3 — CID 103566114

IUPAC2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(CN)cc(OC)c1
InChIInChI=1S/C15H24N2O3/c1-5-15(2,3)17-14(18)10-20-13-7-11(9-16)6-12(8-13)19-4/h6-8H,5,9-10,16H2,1-4H3,(H,17,18)
InChIKeyCYQFDGGHOHARBR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds7

About 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide

2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 103566114) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID103566114
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(CN)cc(OC)c1
InChIInChI=1S/C15H24N2O3/c1-5-15(2,3)17-14(18)10-20-13-7-11(9-16)6-12(8-13)19-4/h6-8H,5,9-10,16H2,1-4H3,(H,17,18)
InChIKeyCYQFDGGHOHARBR-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 103566935
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
CID 103565946
dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8886147
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 103566043
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
CID 103566005
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486238
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
2-[3-(2-aminopropyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486419
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide (CID 103566114) is 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cc(CN)cc(OC)c1.
What is the InChIKey of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is CYQFDGGHOHARBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-15(2,3)17-14(18)10-20-13-7-11(9-16)6-12(8-13)19-4/h6-8H,5,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103566114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).