2-[[butyl(methyl)amino]methoxy]benzamide

C13H20N2O2 — CID 39255586

IUPAC2-[[butyl(methyl)amino]methoxy]benzamide
SMILESCCCCN(C)COc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-4-9-15(2)10-17-12-8-6-5-7-11(12)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyQVQOHOFMTHBDGH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.85
Rot. Bonds7

About 2-[[butyl(methyl)amino]methoxy]benzamide

2-[[butyl(methyl)amino]methoxy]benzamide (PubChem CID 39255586) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methoxy]benzamide.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methoxy]benzamide
PubChem CID39255586
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-[[butyl(methyl)amino]methoxy]benzamide
SMILESCCCCN(C)COc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-3-4-9-15(2)10-17-12-8-6-5-7-11(12)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16)
InChIKeyQVQOHOFMTHBDGH-UHFFFAOYSA-N
XLogP1.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849
2-[[2-hydroxyethyl(methyl)amino]methoxy]benzoic acid
CID 20985961
2-[[butyl(ethyl)amino]methoxy]benzoic acid
CID 22685507
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
2-(2-butoxyphenyl)benzamide
CID 174985404
2-[2-hydroxy-3-[methyl(pentyl)amino]propoxy]benzenecarbothioamide
CID 43294901
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-butoxy-N,N-dibutyl-5-methylaniline;2-(2-methylpropoxy)benzamide
CID 90951467
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)amino]methoxy]benzamide?
The IUPAC name of 2-[[butyl(methyl)amino]methoxy]benzamide (CID 39255586) is 2-[[butyl(methyl)amino]methoxy]benzamide.
What is the SMILES notation for 2-[[butyl(methyl)amino]methoxy]benzamide?
The canonical SMILES for 2-[[butyl(methyl)amino]methoxy]benzamide is CCCCN(C)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[[butyl(methyl)amino]methoxy]benzamide?
The InChIKey is QVQOHOFMTHBDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-9-15(2)10-17-12-8-6-5-7-11(12)13(14)16/h5-8H,3-4,9-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[butyl(methyl)amino]methoxy]benzamide?
2-[[butyl(methyl)amino]methoxy]benzamide has a molecular weight of 236.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methoxy]benzamide is sourced from PubChem (CID 39255586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).