1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide

C24H41N3O3 — CID 70463117

IUPAC1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide
SMILESCCCC(C)(C)NCC(O)c1ccc(C(=O)NC(C)(C)C)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C24H41N3O3/c1-10-13-24(8,9)25-15-19(28)16-11-12-17(20(29)26-22(2,3)4)18(14-16)21(30)27-23(5,6)7/h11-12,14,19,25,28H,10,13,15H2,1-9H3,(H,26,29)(H,27,30)
InChIKeyRUZWEWNXLGEKMQ-UHFFFAOYSA-N
MW419.61 g/mol
LogP3.94
Rot. Bonds8

About 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide

1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide (PubChem CID 70463117) has the molecular formula C24H41N3O3 and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide
PubChem CID70463117
Molecular FormulaC24H41N3O3
Molecular Weight419.61 g/mol
Exact Mass419.31
IUPAC Name1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide
SMILESCCCC(C)(C)NCC(O)c1ccc(C(=O)NC(C)(C)C)c(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C24H41N3O3/c1-10-13-24(8,9)25-15-19(28)16-11-12-17(20(29)26-22(2,3)4)18(14-16)21(30)27-23(5,6)7/h11-12,14,19,25,28H,10,13,15H2,1-9H3,(H,26,29)(H,27,30)
InChIKeyRUZWEWNXLGEKMQ-UHFFFAOYSA-N
XLogP3.94
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide 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 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide (CID 70463117) is 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide is CCCC(C)(C)NCC(O)c1ccc(C(=O)NC(C)(C)C)c(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide?
The InChIKey is RUZWEWNXLGEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O3/c1-10-13-24(8,9)25-15-19(28)16-11-12-17(20(29)26-22(2,3)4)18(14-16)21(30)27-23(5,6)7/h11-12,14,19,25,28H,10,13,15H2,1-9H3,(H,26,29)(H,27,30).
What are the key properties of 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide?
1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide has a molecular weight of 419.61 g/mol, XLogP of 3.94, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-ditert-butyl-4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 70463117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).