5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide

C15H24N2O4 — CID 21488897

IUPAC5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide
SMILESCCC(C)NCC(O)c1ccc(OCCO)c(C(N)=O)c1
InChIInChI=1S/C15H24N2O4/c1-3-10(2)17-9-13(19)11-4-5-14(21-7-6-18)12(8-11)15(16)20/h4-5,8,10,13,17-19H,3,6-7,9H2,1-2H3,(H2,16,20)
InChIKeyBQOOOIJDJQUSGA-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.58
Rot. Bonds9

About 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide

5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide (PubChem CID 21488897) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide
PubChem CID21488897
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide
SMILESCCC(C)NCC(O)c1ccc(OCCO)c(C(N)=O)c1
InChIInChI=1S/C15H24N2O4/c1-3-10(2)17-9-13(19)11-4-5-14(21-7-6-18)12(8-11)15(16)20/h4-5,8,10,13,17-19H,3,6-7,9H2,1-2H3,(H2,16,20)
InChIKeyBQOOOIJDJQUSGA-UHFFFAOYSA-N
XLogP0.58
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
CID 21488915
5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-2-(3-methoxypropoxy)benzamide
CID 21488926
2-(2,3-dihydroxypropoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 21488921
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-[(2-methyl-3-phenylpropyl)amino]ethyl]benzamide
CID 54498554
2-(1-ethoxyethoxy)-5-[1-hydroxy-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]benzamide
CID 21488920
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
2-(2-hydroxyethoxy)-4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]benzoic acid;hydrochloride
CID 69052714
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
2-hydroxy-5-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butan-2-ylamino]ethyl]benzamide
CID 20505301
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151

Frequently Asked Questions

What is the IUPAC name of 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide?
The IUPAC name of 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide (CID 21488897) is 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide is CCC(C)NCC(O)c1ccc(OCCO)c(C(N)=O)c1.
What is the InChIKey of 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide?
The InChIKey is BQOOOIJDJQUSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-10(2)17-9-13(19)11-4-5-14(21-7-6-18)12(8-11)15(16)20/h4-5,8,10,13,17-19H,3,6-7,9H2,1-2H3,(H2,16,20).
What are the key properties of 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide?
5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide has a molecular weight of 296.37 g/mol, XLogP of 0.58, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(butan-2-ylamino)-1-hydroxyethyl]-2-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 21488897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).