N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide

C26H30N2O5 — CID 118727105

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2ccc(OC)c(O)c2-c2cccc(O)c2)cc1
InChIInChI=1S/C26H30N2O5/c1-4-28(5-2)15-16-33-21-11-9-19(10-12-21)27-26(31)22-13-14-23(32-3)25(30)24(22)18-7-6-8-20(29)17-18/h6-14,17,29-30H,4-5,15-16H2,1-3H3,(H,27,31)
InChIKeySTNZCEHILIUDQO-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.75
Rot. Bonds10

About N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide

N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide (PubChem CID 118727105) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
PubChem CID118727105
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2ccc(OC)c(O)c2-c2cccc(O)c2)cc1
InChIInChI=1S/C26H30N2O5/c1-4-28(5-2)15-16-33-21-11-9-19(10-12-21)27-26(31)22-13-14-23(32-3)25(30)24(22)18-7-6-8-20(29)17-18/h6-14,17,29-30H,4-5,15-16H2,1-3H3,(H,27,31)
InChIKeySTNZCEHILIUDQO-UHFFFAOYSA-N
XLogP4.75
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide (CID 118727105) is N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide is CCN(CC)CCOc1ccc(NC(=O)c2ccc(OC)c(O)c2-c2cccc(O)c2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
The InChIKey is STNZCEHILIUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-4-28(5-2)15-16-33-21-11-9-19(10-12-21)27-26(31)22-13-14-23(32-3)25(30)24(22)18-7-6-8-20(29)17-18/h6-14,17,29-30H,4-5,15-16H2,1-3H3,(H,27,31).
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide?
N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide has a molecular weight of 450.54 g/mol, XLogP of 4.75, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-hydroxy-2-(3-hydroxyphenyl)-4-methoxybenzamide is sourced from PubChem (CID 118727105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).