N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane

C25H29NO5 — CID 144966687

IUPACN,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane
SMILESCC.O=C(c1cc(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1)N(CCO)CCO
InChIInChI=1S/C23H23NO5.C2H6/c25-11-9-24(10-12-26)23(29)20-14-18(16-1-5-21(27)6-2-16)13-19(15-20)17-3-7-22(28)8-4-17;1-2/h1-8,13-15,25-28H,9-12H2;1-2H3
InChIKeyZHNVROSVRNZMGG-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.88
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane

N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane (PubChem CID 144966687) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane
PubChem CID144966687
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC NameN,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane
SMILESCC.O=C(c1cc(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1)N(CCO)CCO
InChIInChI=1S/C23H23NO5.C2H6/c25-11-9-24(10-12-26)23(29)20-14-18(16-1-5-21(27)6-2-16)13-19(15-20)17-3-7-22(28)8-4-17;1-2/h1-8,13-15,25-28H,9-12H2;1-2H3
InChIKeyZHNVROSVRNZMGG-UHFFFAOYSA-N
XLogP3.88
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane (CID 144966687) is N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane is CC.O=C(c1cc(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane?
The InChIKey is ZHNVROSVRNZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5.C2H6/c25-11-9-24(10-12-26)23(29)20-14-18(16-1-5-21(27)6-2-16)13-19(15-20)17-3-7-22(28)8-4-17;1-2/h1-8,13-15,25-28H,9-12H2;1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane?
N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane has a molecular weight of 423.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3,5-bis(4-hydroxyphenyl)benzamide;ethane is sourced from PubChem (CID 144966687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).