2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

C19H24N2O3 — CID 3869

💊View drug profile → labetalol
IUPAC2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
InChIKeySGUAFYQXFOLMHL-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.14
Rot. Bonds8

About 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (PubChem CID 3869) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
PubChem CID3869
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
InChIKeySGUAFYQXFOLMHL-UHFFFAOYSA-N
XLogP2.14
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Labetalol Hydrochloride
CID 71412
(+)-Labetalol
CID 134044
Dilevalol Hydrochloride
CID 636407
AH 3474
CID 161394
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N-Butyl-2-hydroxy(1,1'-biphenyl)-3-carboxamide
CID 8579
2-hydroxy-N-[[(1S,5R)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]-5-methylbenzamide
CID 70694686
(R*,S*)-(1)-5-(1-Hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamide
CID 3046034
2-Hydroxy-5-(4-propylmorpholin-2-yl)benzamide
CID 44443944
N-[[4-(ethylcarbamoyl)phenyl]methyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
CID 130277802
Hsp90-IN-31
CID 137440575
2-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 65806958

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (CID 3869) is 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The InChIKey is SGUAFYQXFOLMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24).
What are the key properties of 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 3869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).