2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide

C12H17N3O3 — CID 43373935

IUPAC2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)COc1ccc(CN)cc1
InChIInChI=1S/C12H17N3O3/c1-15(7-11(14)16)12(17)8-18-10-4-2-9(6-13)3-5-10/h2-5H,6-8,13H2,1H3,(H2,14,16)
InChIKeyNLNKXESHDRFDFD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.53
Rot. Bonds6

About 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide

2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide (PubChem CID 43373935) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
PubChem CID43373935
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
SMILESCN(CC(N)=O)C(=O)COc1ccc(CN)cc1
InChIInChI=1S/C12H17N3O3/c1-15(7-11(14)16)12(17)8-18-10-4-2-9(6-13)3-5-10/h2-5H,6-8,13H2,1H3,(H2,14,16)
InChIKeyNLNKXESHDRFDFD-UHFFFAOYSA-N
XLogP-0.53
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-benzoylphenoxy)acetyl]-methylamino]acetamide
CID 56809046
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61422064
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
2-[4-(aminomethyl)phenoxy]-N,N-bis(2-methoxyethyl)acetamide
CID 43587285
N-(3-aminopropyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43254054
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 61430922
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
2-[4-(aminomethyl)phenoxy]-N-ethyl-N-phenylacetamide
CID 16787196
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide (CID 43373935) is 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide is CN(CC(N)=O)C(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide?
The InChIKey is NLNKXESHDRFDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(7-11(14)16)12(17)8-18-10-4-2-9(6-13)3-5-10/h2-5H,6-8,13H2,1H3,(H2,14,16).
What are the key properties of 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide?
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide is sourced from PubChem (CID 43373935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).