2-(3-amino-2-ethoxypropoxy)benzamide

C12H18N2O3 — CID 63069875

IUPAC2-(3-amino-2-ethoxypropoxy)benzamide
SMILESCCOC(CN)COc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O3/c1-2-16-9(7-13)8-17-11-6-4-3-5-10(11)12(14)15/h3-6,9H,2,7-8,13H2,1H3,(H2,14,15)
InChIKeyXUIMWGFJTUKYPG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.53
Rot. Bonds7

About 2-(3-amino-2-ethoxypropoxy)benzamide

2-(3-amino-2-ethoxypropoxy)benzamide (PubChem CID 63069875) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropoxy)benzamide.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropoxy)benzamide
PubChem CID63069875
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3-amino-2-ethoxypropoxy)benzamide
SMILESCCOC(CN)COc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O3/c1-2-16-9(7-13)8-17-11-6-4-3-5-10(11)12(14)15/h3-6,9H,2,7-8,13H2,1H3,(H2,14,15)
InChIKeyXUIMWGFJTUKYPG-UHFFFAOYSA-N
XLogP0.53
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
2-[2-(bromomethyl)butoxy]benzamide
CID 64995210
2-amino-3-(2-carbamoylphenoxy)propanoic acid
CID 65441784
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
2-ethoxy-3-quinolin-8-yloxypropan-1-amine
CID 63070438
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(methylsulfonylmethoxy)benzamide
CID 118665617
propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131
2-(2-amino-2-oxoethoxy)benzamide;ethanesulfonic acid
CID 172768099
2-(aminomethyl)-1-(2-ethoxyphenyl)-3-methylbutan-1-one
CID 116573817
2-(2-oxoethoxy)benzamide
CID 21273663

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropoxy)benzamide?
The IUPAC name of 2-(3-amino-2-ethoxypropoxy)benzamide (CID 63069875) is 2-(3-amino-2-ethoxypropoxy)benzamide.
What is the SMILES notation for 2-(3-amino-2-ethoxypropoxy)benzamide?
The canonical SMILES for 2-(3-amino-2-ethoxypropoxy)benzamide is CCOC(CN)COc1ccccc1C(N)=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropoxy)benzamide?
The InChIKey is XUIMWGFJTUKYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-16-9(7-13)8-17-11-6-4-3-5-10(11)12(14)15/h3-6,9H,2,7-8,13H2,1H3,(H2,14,15).
What are the key properties of 2-(3-amino-2-ethoxypropoxy)benzamide?
2-(3-amino-2-ethoxypropoxy)benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropoxy)benzamide is sourced from PubChem (CID 63069875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).