5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide

C25H28N2O5 — CID 70142955

IUPAC5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
SMILESCOc1ccc(C(CNCC(O)c2ccc(O)c(C(N)=O)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5/c1-31-19-8-3-16(4-9-19)22(17-5-10-20(32-2)11-6-17)14-27-15-24(29)18-7-12-23(28)21(13-18)25(26)30/h3-13,22,24,27-29H,14-15H2,1-2H3,(H2,26,30)
InChIKeyIBSOZFFDUWVUFW-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.96
Rot. Bonds10

About 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide

5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide (PubChem CID 70142955) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
PubChem CID70142955
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide
SMILESCOc1ccc(C(CNCC(O)c2ccc(O)c(C(N)=O)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H28N2O5/c1-31-19-8-3-16(4-9-19)22(17-5-10-20(32-2)11-6-17)14-27-15-24(29)18-7-12-23(28)21(13-18)25(26)30/h3-13,22,24,27-29H,14-15H2,1-2H3,(H2,26,30)
InChIKeyIBSOZFFDUWVUFW-UHFFFAOYSA-N
XLogP2.96
TPSA114.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
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
2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]ethyl carbamate
CID 83209205
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
2-hydroxy-5-[1-hydroxy-2-(4-phenylmethoxybutan-2-ylamino)ethyl]benzamide
CID 13116906
1-(6-methoxynaphthalen-2-yl)-2-(2-methylpropylamino)ethanol
CID 62772783
5-[2-(5,5-dimethoxyheptan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide;hydrochloride
CID 21389510
5-[2-(4-anilinobutan-2-ylamino)-1-hydroxyethyl]-2-hydroxybenzamide
CID 54443827
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406
5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
CID 12814711
4-[(1S)-1-hydroxy-2-[3-(4-methoxyphenyl)propylamino]ethyl]benzene-1,2-diol
CID 54547683

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide (CID 70142955) is 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide is COc1ccc(C(CNCC(O)c2ccc(O)c(C(N)=O)c2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
The InChIKey is IBSOZFFDUWVUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-31-19-8-3-16(4-9-19)22(17-5-10-20(32-2)11-6-17)14-27-15-24(29)18-7-12-23(28)21(13-18)25(26)30/h3-13,22,24,27-29H,14-15H2,1-2H3,(H2,26,30).
What are the key properties of 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide?
5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide has a molecular weight of 436.51 g/mol, XLogP of 2.96, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,2-bis(4-methoxyphenyl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzamide is sourced from PubChem (CID 70142955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).