N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide

C13H20N2O3 — CID 115267431

IUPACN-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(C)CN
InChIInChI=1S/C13H20N2O3/c1-10(7-14)8-15-13(16)9-18-12-6-4-3-5-11(12)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyVGYFPDSCUOBOOI-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.79
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide

N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 115267431) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
PubChem CID115267431
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(C)CN
InChIInChI=1S/C13H20N2O3/c1-10(7-14)8-15-13(16)9-18-12-6-4-3-5-11(12)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyVGYFPDSCUOBOOI-UHFFFAOYSA-N
XLogP0.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-(3-amino-2-methylpropyl)-2-(2-phenylphenoxy)acetamide
CID 119996389
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(2-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115700511
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
CID 55102521
2-(2-aminophenoxy)-N-(2-methylbutyl)acetamide
CID 55108500

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide (CID 115267431) is N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VGYFPDSCUOBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(7-14)8-15-13(16)9-18-12-6-4-3-5-11(12)17-2/h3-6,10H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide?
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 115267431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).