2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide

C17H20N2O3 — CID 43822964

IUPAC2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2CN)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-2-4-14(16)10-18/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyRPGILHIOIHETTH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.85
Rot. Bonds7

About 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 43822964) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID43822964
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccccc2CN)cc1
InChIInChI=1S/C17H20N2O3/c1-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-2-4-14(16)10-18/h2-9H,10-12,18H2,1H3,(H,19,20)
InChIKeyRPGILHIOIHETTH-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 16795293
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (CID 43822964) is 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccccc2CN)cc1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RPGILHIOIHETTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-2-4-14(16)10-18/h2-9H,10-12,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 43822964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).