2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide

C15H24N2O3 — CID 61490000

IUPAC2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(OC)cc1CN
InChIInChI=1S/C15H24N2O3/c1-4-5-11(2)17-15(18)10-20-14-7-6-13(19-3)8-12(14)9-16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyHVBRPLRROAHJAJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds8

About 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide

2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide (PubChem CID 61490000) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
PubChem CID61490000
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(OC)cc1CN
InChIInChI=1S/C15H24N2O3/c1-4-5-11(2)17-15(18)10-20-14-7-6-13(19-3)8-12(14)9-16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyHVBRPLRROAHJAJ-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-[2-(aminomethyl)-5-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486869
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489494
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
CID 79775490
2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
methyl 3-[2-(aminomethyl)-4-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79628909
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide (CID 61490000) is 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc(OC)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide?
The InChIKey is HVBRPLRROAHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-11(2)17-15(18)10-20-14-7-6-13(19-3)8-12(14)9-16/h6-8,11H,4-5,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide?
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide has a molecular weight of 280.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61490000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).