2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide

C17H24N4O4 — CID 54158514

IUPAC2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide
SMILESCOCCC(C)N(CC(O)c1ccc(O)c(C(N)=O)c1)c1cnc[nH]1
InChIInChI=1S/C17H24N4O4/c1-11(5-6-25-2)21(16-8-19-10-20-16)9-15(23)12-3-4-14(22)13(7-12)17(18)24/h3-4,7-8,10-11,15,22-23H,5-6,9H2,1-2H3,(H2,18,24)(H,19,20)
InChIKeyOMTNPIRUBQQGBW-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.18
Rot. Bonds9

About 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide

2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide (PubChem CID 54158514) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide
PubChem CID54158514
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide
SMILESCOCCC(C)N(CC(O)c1ccc(O)c(C(N)=O)c1)c1cnc[nH]1
InChIInChI=1S/C17H24N4O4/c1-11(5-6-25-2)21(16-8-19-10-20-16)9-15(23)12-3-4-14(22)13(7-12)17(18)24/h3-4,7-8,10-11,15,22-23H,5-6,9H2,1-2H3,(H2,18,24)(H,19,20)
InChIKeyOMTNPIRUBQQGBW-UHFFFAOYSA-N
XLogP1.18
TPSA124.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butan-2-ylamino]ethyl]benzamide
CID 20505301
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
2-hydroxy-5-[1-hydroxy-2-[4-phenylbutan-2-yl(prop-2-enyl)amino]ethyl]benzamide
CID 5107886
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
[(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-4-phenylbutan-2-yl]azanium
CID 41097888
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
CID 54443827
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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide (CID 54158514) is 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide is COCCC(C)N(CC(O)c1ccc(O)c(C(N)=O)c1)c1cnc[nH]1.
What is the InChIKey of 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide?
The InChIKey is OMTNPIRUBQQGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11(5-6-25-2)21(16-8-19-10-20-16)9-15(23)12-3-4-14(22)13(7-12)17(18)24/h3-4,7-8,10-11,15,22-23H,5-6,9H2,1-2H3,(H2,18,24)(H,19,20).
What are the key properties of 2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide?
2-hydroxy-5-[1-hydroxy-2-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide has a molecular weight of 348.40 g/mol, XLogP of 1.18, 9 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-[1H-imidazol-5-yl(4-methoxybutan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 54158514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).