2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide

C13H20N4O3 — CID 62922417

IUPAC2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCc1cccc(OCCN(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C13H20N4O3/c14-7-10-2-1-3-11(6-10)20-5-4-17(8-12(15)18)9-13(16)19/h1-3,6H,4-5,7-9,14H2,(H2,15,18)(H2,16,19)
InChIKeyJAWHJQSEXDPZTO-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.20
Rot. Bonds9

About 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide

2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62922417) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62922417
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCc1cccc(OCCN(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C13H20N4O3/c14-7-10-2-1-3-11(6-10)20-5-4-17(8-12(15)18)9-13(16)19/h1-3,6H,4-5,7-9,14H2,(H2,15,18)(H2,16,19)
InChIKeyJAWHJQSEXDPZTO-UHFFFAOYSA-N
XLogP-1.20
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
2-[2-[3-(aminomethyl)phenoxy]ethoxy]benzamide
CID 43254266
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589
3-[2-[2-[2-[2-[2-[3-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;hydrochloride
CID 164593214
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide (CID 62922417) is 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide is NCc1cccc(OCCN(CC(N)=O)CC(N)=O)c1.
What is the InChIKey of 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is JAWHJQSEXDPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c14-7-10-2-1-3-11(6-10)20-5-4-17(8-12(15)18)9-13(16)19/h1-3,6H,4-5,7-9,14H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 280.33 g/mol, XLogP of -1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)phenoxy]ethyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62922417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).