5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide

C19H25N3O3 — CID 54443827

IUPAC5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
SMILESCC(CCNc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H25N3O3/c1-13(9-10-21-15-5-3-2-4-6-15)22-12-18(24)14-7-8-17(23)16(11-14)19(20)25/h2-8,11,13,18,21-24H,9-10,12H2,1H3,(H2,20,25)
InChIKeyWQBALCSTXVRISA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.00
Rot. Bonds9

About 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide

5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide (PubChem CID 54443827) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
PubChem CID54443827
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
SMILESCC(CCNc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H25N3O3/c1-13(9-10-21-15-5-3-2-4-6-15)22-12-18(24)14-7-8-17(23)16(11-14)19(20)25/h2-8,11,13,18,21-24H,9-10,12H2,1H3,(H2,20,25)
InChIKeyWQBALCSTXVRISA-UHFFFAOYSA-N
XLogP2.00
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
5-[2-[4-(4-chloro-N-methylanilino)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 54053048
2-hydroxy-5-[1-hydroxy-2-[4-(pyrimidin-5-ylmethoxy)butan-2-ylamino]ethyl]benzamide
CID 20505301
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
[(2S)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-[(2S)-4-phenylbutan-2-yl]azanium
CID 41097888
2-(aminomethyl)-4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 151436293
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 70142955
2-(2-ethoxyethoxy)-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide;hydrochloride
CID 21488915

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide (CID 54443827) is 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide is CC(CCNc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide?
The InChIKey is WQBALCSTXVRISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(9-10-21-15-5-3-2-4-6-15)22-12-18(24)14-7-8-17(23)16(11-14)19(20)25/h2-8,11,13,18,21-24H,9-10,12H2,1H3,(H2,20,25).
What are the key properties of 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide?
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide has a molecular weight of 343.43 g/mol, XLogP of 2.00, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide is sourced from PubChem (CID 54443827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).