4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide

C24H39N3O3 — CID 142858845

IUPAC4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
SMILESCCCCCC(C)NC(=O)c1ccc(C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1
InChIInChI=1S/C24H39N3O3/c1-7-8-9-10-17(2)25-21(28)18-11-13-19(14-12-18)22(29)26-20-15-23(3,4)27(30)24(5,6)16-20/h11-14,17,20,30H,7-10,15-16H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyUGDCNTNDMQSBPR-UHFFFAOYSA-N
MW417.59 g/mol
LogP4.53
Rot. Bonds8

About 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide

4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide (PubChem CID 142858845) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
PubChem CID142858845
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC Name4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
SMILESCCCCCC(C)NC(=O)c1ccc(C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1
InChIInChI=1S/C24H39N3O3/c1-7-8-9-10-17(2)25-21(28)18-11-13-19(14-12-18)22(29)26-20-15-23(3,4)27(30)24(5,6)16-20/h11-14,17,20,30H,7-10,15-16H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyUGDCNTNDMQSBPR-UHFFFAOYSA-N
XLogP4.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide (CID 142858845) is 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide is CCCCCC(C)NC(=O)c1ccc(C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1.
What is the InChIKey of 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
The InChIKey is UGDCNTNDMQSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-7-8-9-10-17(2)25-21(28)18-11-13-19(14-12-18)22(29)26-20-15-23(3,4)27(30)24(5,6)16-20/h11-14,17,20,30H,7-10,15-16H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide?
4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide has a molecular weight of 417.59 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 142858845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).