3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide

C30H38N2O2 — CID 2854850

IUPAC3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)Nc2c3c(nc4ccccc24)CCCC3)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H38N2O2/c1-29(2,3)22-17-19(18-23(28(22)34)30(4,5)6)15-16-26(33)32-27-20-11-7-9-13-24(20)31-25-14-10-8-12-21(25)27/h7,9,11,13,17-18,34H,8,10,12,14-16H2,1-6H3,(H,31,32,33)
InChIKeyRHLGOYXKJSSVAB-UHFFFAOYSA-N
MW458.65 g/mol
LogP6.99
Rot. Bonds4

About 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide (PubChem CID 2854850) has the molecular formula C30H38N2O2 and a molecular weight of 458.65 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide
PubChem CID2854850
Molecular FormulaC30H38N2O2
Molecular Weight458.65 g/mol
Exact Mass458.29
IUPAC Name3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)Nc2c3c(nc4ccccc24)CCCC3)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H38N2O2/c1-29(2,3)22-17-19(18-23(28(22)34)30(4,5)6)15-16-26(33)32-27-20-11-7-9-13-24(20)31-25-14-10-8-12-21(25)27/h7,9,11,13,17-18,34H,8,10,12,14-16H2,1-6H3,(H,31,32,33)
InChIKeyRHLGOYXKJSSVAB-UHFFFAOYSA-N
XLogP6.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide 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-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide?
The IUPAC name of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide (CID 2854850) is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide.
What is the SMILES notation for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide?
The canonical SMILES for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide is CC(C)(C)c1cc(CCC(=O)Nc2c3c(nc4ccccc24)CCCC3)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide?
The InChIKey is RHLGOYXKJSSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O2/c1-29(2,3)22-17-19(18-23(28(22)34)30(4,5)6)15-16-26(33)32-27-20-11-7-9-13-24(20)31-25-14-10-8-12-21(25)27/h7,9,11,13,17-18,34H,8,10,12,14-16H2,1-6H3,(H,31,32,33).
What are the key properties of 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide?
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide has a molecular weight of 458.65 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)propanamide is sourced from PubChem (CID 2854850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).