2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide

C13H20N4O3 — CID 106785478

IUPAC2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCOc1cc(CN(CC(N)=O)CC(N)=O)ccc1CN
InChIInChI=1S/C13H20N4O3/c1-20-11-4-9(2-3-10(11)5-14)6-17(7-12(15)18)8-13(16)19/h2-4H,5-8,14H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyUPICELSHQZFSQB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.07
Rot. Bonds8

About 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide

2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 106785478) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID106785478
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCOc1cc(CN(CC(N)=O)CC(N)=O)ccc1CN
InChIInChI=1S/C13H20N4O3/c1-20-11-4-9(2-3-10(11)5-14)6-17(7-12(15)18)8-13(16)19/h2-4H,5-8,14H2,1H3,(H2,15,18)(H2,16,19)
InChIKeyUPICELSHQZFSQB-UHFFFAOYSA-N
XLogP-1.07
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 106785344
2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
CID 54942215
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
2-[butyl-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]amino]acetamide
CID 82959006
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
CID 84754901
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 106785478) is 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide is COc1cc(CN(CC(N)=O)CC(N)=O)ccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is UPICELSHQZFSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-20-11-4-9(2-3-10(11)5-14)6-17(7-12(15)18)8-13(16)19/h2-4H,5-8,14H2,1H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 280.33 g/mol, XLogP of -1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 106785478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).