2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide

C12H17NO4 — CID 137390518

IUPAC2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide
SMILESCCc1cccc(C(N)=O)c1OC(CO)CO
InChIInChI=1S/C12H17NO4/c1-2-8-4-3-5-10(12(13)16)11(8)17-9(6-14)7-15/h3-5,9,14-15H,2,6-7H2,1H3,(H2,13,16)
InChIKeyFOHPPLULGUYUHP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.08
Rot. Bonds6

About 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide

2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide (PubChem CID 137390518) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide
PubChem CID137390518
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide
SMILESCCc1cccc(C(N)=O)c1OC(CO)CO
InChIInChI=1S/C12H17NO4/c1-2-8-4-3-5-10(12(13)16)11(8)17-9(6-14)7-15/h3-5,9,14-15H,2,6-7H2,1H3,(H2,13,16)
InChIKeyFOHPPLULGUYUHP-UHFFFAOYSA-N
XLogP0.08
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-3-ethylbenzamide
CID 69236548
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-methyl-3-propylbenzamide
CID 66693156
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 68765514
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
CID 106190626
3-amino-2-(1-cyanopropoxy)benzamide
CID 107873452
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide?
The IUPAC name of 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide (CID 137390518) is 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide is CCc1cccc(C(N)=O)c1OC(CO)CO.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide?
The InChIKey is FOHPPLULGUYUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-8-4-3-5-10(12(13)16)11(8)17-9(6-14)7-15/h3-5,9,14-15H,2,6-7H2,1H3,(H2,13,16).
What are the key properties of 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide?
2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide is sourced from PubChem (CID 137390518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).