3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide

C31H34N2O4 — CID 11720774

IUPAC3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide
SMILESCCC1=C(c2ccc(O)cc2)C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21
InChIInChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)
InChIKeyBDMZTIOJCDWABL-UHFFFAOYSA-N
MW498.62 g/mol
LogP6.02
Rot. Bonds8

About 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide

3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide (PubChem CID 11720774) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide
PubChem CID11720774
Molecular FormulaC31H34N2O4
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC Name3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide
SMILESCCC1=C(c2ccc(O)cc2)C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21
InChIInChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36)
InChIKeyBDMZTIOJCDWABL-UHFFFAOYSA-N
XLogP6.02
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide?
The IUPAC name of 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide (CID 11720774) is 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide.
What is the SMILES notation for 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide?
The canonical SMILES for 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide is CCC1=C(c2ccc(O)cc2)C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21.
What is the InChIKey of 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide?
The InChIKey is BDMZTIOJCDWABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-2-26-27-15-12-24(35)20-28(27)30(29(26)21-6-10-23(34)11-7-21)31(36)32-22-8-13-25(14-9-22)37-19-18-33-16-4-3-5-17-33/h6-15,20,30,34-35H,2-5,16-19H2,1H3,(H,32,36).
What are the key properties of 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide?
3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 6.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-indene-1-carboxamide is sourced from PubChem (CID 11720774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).