2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide

C21H20N2O3 — CID 46741579

IUPAC2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESNCc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O3/c22-14-16-5-4-8-20(13-16)25-15-21(24)23-17-9-11-19(12-10-17)26-18-6-2-1-3-7-18/h1-13H,14-15,22H2,(H,23,24)
InChIKeyOQFWOBCPEZRCBG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.96
Rot. Bonds7

About 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide

2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide (PubChem CID 46741579) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
PubChem CID46741579
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESNCc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O3/c22-14-16-5-4-8-20(13-16)25-15-21(24)23-17-9-11-19(12-10-17)26-18-6-2-1-3-7-18/h1-13H,14-15,22H2,(H,23,24)
InChIKeyOQFWOBCPEZRCBG-UHFFFAOYSA-N
XLogP3.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761
2-(3-ethoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 112977837
2-[3-[2-oxo-2-(3-phenoxyanilino)ethoxy]phenyl]acetamide
CID 48934810
3-[3-(aminomethyl)phenoxy]-N-phenylpropanamide
CID 106485112
N-(4-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 23904816
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
2-[3-(aminomethyl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 106485098
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide (CID 46741579) is 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide is NCc1cccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is OQFWOBCPEZRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c22-14-16-5-4-8-20(13-16)25-15-21(24)23-17-9-11-19(12-10-17)26-18-6-2-1-3-7-18/h1-13H,14-15,22H2,(H,23,24).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 46741579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).