2-(4-methoxybutoxy)benzamide;dihydrochloride

C12H19Cl2NO3 — CID 140972471

IUPAC2-(4-methoxybutoxy)benzamide;dihydrochloride
SMILESCOCCCCOc1ccccc1C(N)=O.Cl.Cl
InChIInChI=1S/C12H17NO3.2ClH/c1-15-8-4-5-9-16-11-7-3-2-6-10(11)12(13)14;;/h2-3,6-7H,4-5,8-9H2,1H3,(H2,13,14);2*1H
InChIKeyGVWTVYSFTUKRRF-UHFFFAOYSA-N
MW296.19 g/mol
LogP2.43
Rot. Bonds7

About 2-(4-methoxybutoxy)benzamide;dihydrochloride

2-(4-methoxybutoxy)benzamide;dihydrochloride (PubChem CID 140972471) has the molecular formula C12H19Cl2NO3 and a molecular weight of 296.19 g/mol. Its IUPAC name is 2-(4-methoxybutoxy)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-methoxybutoxy)benzamide;dihydrochloride
PubChem CID140972471
Molecular FormulaC12H19Cl2NO3
Molecular Weight296.19 g/mol
Exact Mass295.07
IUPAC Name2-(4-methoxybutoxy)benzamide;dihydrochloride
SMILESCOCCCCOc1ccccc1C(N)=O.Cl.Cl
InChIInChI=1S/C12H17NO3.2ClH/c1-15-8-4-5-9-16-11-7-3-2-6-10(11)12(13)14;;/h2-3,6-7H,4-5,8-9H2,1H3,(H2,13,14);2*1H
InChIKeyGVWTVYSFTUKRRF-UHFFFAOYSA-N
XLogP2.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
CID 140972457
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936297
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutoxy)benzamide;dihydrochloride?
The IUPAC name of 2-(4-methoxybutoxy)benzamide;dihydrochloride (CID 140972471) is 2-(4-methoxybutoxy)benzamide;dihydrochloride.
What is the SMILES notation for 2-(4-methoxybutoxy)benzamide;dihydrochloride?
The canonical SMILES for 2-(4-methoxybutoxy)benzamide;dihydrochloride is COCCCCOc1ccccc1C(N)=O.Cl.Cl.
What is the InChIKey of 2-(4-methoxybutoxy)benzamide;dihydrochloride?
The InChIKey is GVWTVYSFTUKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3.2ClH/c1-15-8-4-5-9-16-11-7-3-2-6-10(11)12(13)14;;/h2-3,6-7H,4-5,8-9H2,1H3,(H2,13,14);2*1H.
What are the key properties of 2-(4-methoxybutoxy)benzamide;dihydrochloride?
2-(4-methoxybutoxy)benzamide;dihydrochloride has a molecular weight of 296.19 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutoxy)benzamide;dihydrochloride is sourced from PubChem (CID 140972471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).