2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide

C12H16N2O4 — CID 22937154

IUPAC2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(CCO)c(C(N)=O)c1CCO
InChIInChI=1S/C12H16N2O4/c13-11(17)9-2-1-7(3-5-15)10(12(14)18)8(9)4-6-16/h1-2,15-16H,3-6H2,(H2,13,17)(H2,14,18)
InChIKeyWEPRRSOHGYERPY-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.05
Rot. Bonds6

About 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide

2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide (PubChem CID 22937154) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
PubChem CID22937154
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(CCO)c(C(N)=O)c1CCO
InChIInChI=1S/C12H16N2O4/c13-11(17)9-2-1-7(3-5-15)10(12(14)18)8(9)4-6-16/h1-2,15-16H,3-6H2,(H2,13,17)(H2,14,18)
InChIKeyWEPRRSOHGYERPY-UHFFFAOYSA-N
XLogP-1.05
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide (CID 22937154) is 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide is NC(=O)c1ccc(CCO)c(C(N)=O)c1CCO.
What is the InChIKey of 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
The InChIKey is WEPRRSOHGYERPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c13-11(17)9-2-1-7(3-5-15)10(12(14)18)8(9)4-6-16/h1-2,15-16H,3-6H2,(H2,13,17)(H2,14,18).
What are the key properties of 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide?
2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 22937154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).