2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C19H24N2O5 — CID 21389516

IUPAC2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)NCC(O)c1ccc(O)c(C(N)=O)c1.COc1cc2ccc1o2
InChIInChI=1S/C12H18N2O3.C7H6O2/c1-7(2)14-6-11(16)8-3-4-10(15)9(5-8)12(13)17;1-8-7-4-5-2-3-6(7)9-5/h3-5,7,11,14-16H,6H2,1-2H3,(H2,13,17);2-4H,1H3
InChIKeyRFUIDNHGIGEYGO-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.40
Rot. Bonds6

About 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 21389516) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID21389516
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCC(C)NCC(O)c1ccc(O)c(C(N)=O)c1.COc1cc2ccc1o2
InChIInChI=1S/C12H18N2O3.C7H6O2/c1-7(2)14-6-11(16)8-3-4-10(15)9(5-8)12(13)17;1-8-7-4-5-2-3-6(7)9-5/h3-5,7,11,14-16H,6H2,1-2H3,(H2,13,17);2-4H,1H3
InChIKeyRFUIDNHGIGEYGO-UHFFFAOYSA-N
XLogP2.40
TPSA117.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
CID 54443827
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
2-hydroxy-5-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butan-2-ylamino]ethyl]benzamide
CID 20505301
5-[2-[4-(4-chloro-N-methylanilino)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 54053048
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 21389516) is 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CC(C)NCC(O)c1ccc(O)c(C(N)=O)c1.COc1cc2ccc1o2.
What is the InChIKey of 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is RFUIDNHGIGEYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C7H6O2/c1-7(2)14-6-11(16)8-3-4-10(15)9(5-8)12(13)17;1-8-7-4-5-2-3-6(7)9-5/h3-5,7,11,14-16H,6H2,1-2H3,(H2,13,17);2-4H,1H3.
What are the key properties of 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 360.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzamide;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 21389516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).