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

C13H21ClN2O2 — CID 75369473

IUPACN-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccccc1CC(=O)NCCC(C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(14)7-8-15-13(16)9-11-5-3-4-6-12(11)17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyWAQAXOHUKFXUKU-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.51
Rot. Bonds6

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

N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride (PubChem CID 75369473) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
PubChem CID75369473
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccccc1CC(=O)NCCC(C)N.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10(14)7-8-15-13(16)9-11-5-3-4-6-12(11)17-2;/h3-6,10H,7-9,14H2,1-2H3,(H,15,16);1H
InChIKeyWAQAXOHUKFXUKU-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride (CID 75369473) is N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride is COc1ccccc1CC(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is WAQAXOHUKFXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10(14)7-8-15-13(16)9-11-5-3-4-6-12(11)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-methoxyphenyl)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 75369473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).