2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride

C14H23ClN2O3 — CID 17289414

IUPAC2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-3-4-7-16-9-11-5-6-12(13(8-11)18-2)19-10-14(15)17;/h5-6,8,16H,3-4,7,9-10H2,1-2H3,(H2,15,17);1H
InChIKeyXAEZBYDXWBADIU-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.87
Rot. Bonds9

About 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride

2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 17289414) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
PubChem CID17289414
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
SMILESCCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-3-4-7-16-9-11-5-6-12(13(8-11)18-2)19-10-14(15)17;/h5-6,8,16H,3-4,7,9-10H2,1-2H3,(H2,15,17);1H
InChIKeyXAEZBYDXWBADIU-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.87
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-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
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
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17291007
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride (CID 17289414) is 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride is CCCCNCc1ccc(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is XAEZBYDXWBADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-3-4-7-16-9-11-5-6-12(13(8-11)18-2)19-10-14(15)17;/h5-6,8,16H,3-4,7,9-10H2,1-2H3,(H2,15,17);1H.
What are the key properties of 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride?
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17289414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).