2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride

C13H21ClN2O3 — CID 17290875

IUPAC2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
SMILESCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-3-6-15-8-10-4-5-11(12(7-10)17-2)18-9-13(14)16;/h4-5,7,15H,3,6,8-9H2,1-2H3,(H2,14,16);1H
InChIKeyLGPKGDMYQRKVQS-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.48
Rot. Bonds8

About 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride

2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride (PubChem CID 17290875) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
PubChem CID17290875
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
SMILESCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-3-6-15-8-10-4-5-11(12(7-10)17-2)18-9-13(14)16;/h4-5,7,15H,3,6,8-9H2,1-2H3,(H2,14,16);1H
InChIKeyLGPKGDMYQRKVQS-UHFFFAOYSA-N
XLogP1.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride (CID 17290875) is 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride is CCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
The InChIKey is LGPKGDMYQRKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-3-6-15-8-10-4-5-11(12(7-10)17-2)18-9-13(14)16;/h4-5,7,15H,3,6,8-9H2,1-2H3,(H2,14,16);1H.
What are the key properties of 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17290875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).