1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide

C24H21N3O6 — CID 1291806

IUPAC1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide
SMILESO=C(NCc1ccco1)c1cc(C(=O)NCc2ccco2)cc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H21N3O6/c28-22(25-13-19-4-1-7-31-19)16-10-17(23(29)26-14-20-5-2-8-32-20)12-18(11-16)24(30)27-15-21-6-3-9-33-21/h1-12H,13-15H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyCTXJMGMFLSIKRS-UHFFFAOYSA-N
MW447.45 g/mol
LogP3.26
Rot. Bonds9

About 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide

1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide (PubChem CID 1291806) has the molecular formula C24H21N3O6 and a molecular weight of 447.45 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide
PubChem CID1291806
Molecular FormulaC24H21N3O6
Molecular Weight447.45 g/mol
Exact Mass447.14
IUPAC Name1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide
SMILESO=C(NCc1ccco1)c1cc(C(=O)NCc2ccco2)cc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H21N3O6/c28-22(25-13-19-4-1-7-31-19)16-10-17(23(29)26-14-20-5-2-8-32-20)12-18(11-16)24(30)27-15-21-6-3-9-33-21/h1-12H,13-15H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyCTXJMGMFLSIKRS-UHFFFAOYSA-N
XLogP3.26
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide (CID 1291806) is 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide is O=C(NCc1ccco1)c1cc(C(=O)NCc2ccco2)cc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide?
The InChIKey is CTXJMGMFLSIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6/c28-22(25-13-19-4-1-7-31-19)16-10-17(23(29)26-14-20-5-2-8-32-20)12-18(11-16)24(30)27-15-21-6-3-9-33-21/h1-12H,13-15H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide has a molecular weight of 447.45 g/mol, XLogP of 3.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(furan-2-ylmethyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 1291806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).