1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide

C28H26N4O2 — CID 42988811

IUPAC1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H26N4O2/c33-27(29-15-13-21-17-31-25-7-3-1-5-23(21)25)19-9-11-20(12-10-19)28(34)30-16-14-22-18-32-26-8-4-2-6-24(22)26/h1-12,17-18,31-32H,13-16H2,(H,29,33)(H,30,34)
InChIKeyNJSRNBJLLOJBHM-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.59
Rot. Bonds8

About 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 42988811) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID42988811
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H26N4O2/c33-27(29-15-13-21-17-31-25-7-3-1-5-23(21)25)19-9-11-20(12-10-19)28(34)30-16-14-22-18-32-26-8-4-2-6-24(22)26/h1-12,17-18,31-32H,13-16H2,(H,29,33)(H,30,34)
InChIKeyNJSRNBJLLOJBHM-UHFFFAOYSA-N
XLogP4.59
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(1H-indol-3-yl)ethyl]-4-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043503
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide (CID 42988811) is 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is NJSRNBJLLOJBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-27(29-15-13-21-17-31-25-7-3-1-5-23(21)25)19-9-11-20(12-10-19)28(34)30-16-14-22-18-32-26-8-4-2-6-24(22)26/h1-12,17-18,31-32H,13-16H2,(H,29,33)(H,30,34).
What are the key properties of 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 42988811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).