N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride

C13H21ClN2O3 — CID 119494768

IUPACN-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1ccccc1OCC(=O)NCCC(C)N.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-10(14)7-8-15-13(16)9-18-12-6-4-3-5-11(12)17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyDLRZMSADAIFZKF-UHFFFAOYSA-N
MW288.77 g/mol
LogP1.35
Rot. Bonds7

About N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride

N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride (PubChem CID 119494768) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.77 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
PubChem CID119494768
Molecular FormulaC13H21ClN2O3
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC NameN-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1ccccc1OCC(=O)NCCC(C)N.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-10(14)7-8-15-13(16)9-18-12-6-4-3-5-11(12)17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyDLRZMSADAIFZKF-UHFFFAOYSA-N
XLogP1.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056855
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride (CID 119494768) is N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride is COc1ccccc1OCC(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride?
The InChIKey is DLRZMSADAIFZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-10(14)7-8-15-13(16)9-18-12-6-4-3-5-11(12)17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119494768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).