N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide

C25H26N2O5 — CID 23822606

IUPACN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc1c23
InChIInChI=1S/C25H26N2O5/c1-5-6-12-27-19-11-10-18(16-8-7-9-17(22(16)19)25(27)29)26-24(28)15-13-20(30-2)23(32-4)21(14-15)31-3/h7-11,13-14H,5-6,12H2,1-4H3,(H,26,28)
InChIKeyITELZENUVRAPPK-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.88
Rot. Bonds8

About N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide

N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide (PubChem CID 23822606) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide
PubChem CID23822606
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC NameN-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide
SMILESCCCCN1C(=O)c2cccc3c(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc1c23
InChIInChI=1S/C25H26N2O5/c1-5-6-12-27-19-11-10-18(16-8-7-9-17(22(16)19)25(27)29)26-24(28)15-13-20(30-2)23(32-4)21(14-15)31-3/h7-11,13-14H,5-6,12H2,1-4H3,(H,26,28)
InChIKeyITELZENUVRAPPK-UHFFFAOYSA-N
XLogP4.88
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide (CID 23822606) is N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide is CCCCN1C(=O)c2cccc3c(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc1c23.
What is the InChIKey of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is ITELZENUVRAPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-5-6-12-27-19-11-10-18(16-8-7-9-17(22(16)19)25(27)29)26-24(28)15-13-20(30-2)23(32-4)21(14-15)31-3/h7-11,13-14H,5-6,12H2,1-4H3,(H,26,28).
What are the key properties of N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide?
N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 434.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-oxobenzo[cd]indol-6-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 23822606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).