2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide

C15H24N2O3 — CID 61486905

IUPAC2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cc(CN)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-4-12(5-2)17-15(18)10-20-14-8-11(9-16)6-7-13(14)19-3/h6-8,12H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyVHFKGGUXTZUENG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.84
Rot. Bonds8

About 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide (PubChem CID 61486905) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
PubChem CID61486905
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1cc(CN)ccc1OC
InChIInChI=1S/C15H24N2O3/c1-4-12(5-2)17-15(18)10-20-14-8-11(9-16)6-7-13(14)19-3/h6-8,12H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyVHFKGGUXTZUENG-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-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486869
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
2-[2-methoxy-5-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278726
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
3-[5-(aminomethyl)-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629784
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide (CID 61486905) is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1cc(CN)ccc1OC.
What is the InChIKey of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide?
The InChIKey is VHFKGGUXTZUENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-12(5-2)17-15(18)10-20-14-8-11(9-16)6-7-13(14)19-3/h6-8,12H,4-5,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide?
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-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-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61486905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).