2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide

C26H31NO — CID 87493735

IUPAC2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide
SMILESCC1=C(C)C(C)C(c2ccccc2CNC(=O)c2c(C)cc(C)cc2C)=C1C
InChIInChI=1S/C26H31NO/c1-15-12-16(2)24(17(3)13-15)26(28)27-14-22-10-8-9-11-23(22)25-20(6)18(4)19(5)21(25)7/h8-13,20H,14H2,1-7H3,(H,27,28)
InChIKeyPQIXNWGLOCZLCA-UHFFFAOYSA-N
MW373.54 g/mol
LogP6.30
Rot. Bonds4

About 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide

2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide (PubChem CID 87493735) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide
PubChem CID87493735
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide
SMILESCC1=C(C)C(C)C(c2ccccc2CNC(=O)c2c(C)cc(C)cc2C)=C1C
InChIInChI=1S/C26H31NO/c1-15-12-16(2)24(17(3)13-15)26(28)27-14-22-10-8-9-11-23(22)25-20(6)18(4)19(5)21(25)7/h8-13,20H,14H2,1-7H3,(H,27,28)
InChIKeyPQIXNWGLOCZLCA-UHFFFAOYSA-N
XLogP6.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide (CID 87493735) is 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide is CC1=C(C)C(C)C(c2ccccc2CNC(=O)c2c(C)cc(C)cc2C)=C1C.
What is the InChIKey of 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide?
The InChIKey is PQIXNWGLOCZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c1-15-12-16(2)24(17(3)13-15)26(28)27-14-22-10-8-9-11-23(22)25-20(6)18(4)19(5)21(25)7/h8-13,20H,14H2,1-7H3,(H,27,28).
What are the key properties of 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide?
2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide has a molecular weight of 373.54 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 87493735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).