N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride

C13H21ClN2O2 — CID 120828955

IUPACN-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1cccc(C)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-5-4-6-12(7-10)17-9-13(16)15-8-11(2)14-3;/h4-7,11,14H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyKWYRHVMVKIRDLT-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride (PubChem CID 120828955) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
PubChem CID120828955
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1cccc(C)c1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-5-4-6-12(7-10)17-9-13(16)15-8-11(2)14-3;/h4-7,11,14H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyKWYRHVMVKIRDLT-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
2-(2,6-dichlorophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120833103
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(methylamino)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 120828911

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride (CID 120828955) is N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride is CNC(C)CNC(=O)COc1cccc(C)c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
The InChIKey is KWYRHVMVKIRDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10-5-4-6-12(7-10)17-9-13(16)15-8-11(2)14-3;/h4-7,11,14H,8-9H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120828955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).