1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane

C26H41N3O3 — CID 142858840

IUPAC1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane
SMILESCC.CC1(C)CC(NC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC(C)(C)N1C=O
InChIInChI=1S/C24H35N3O3.C2H6/c1-23(2)14-20(15-24(3,4)27(23)16-28)26-22(30)18-12-10-17(11-13-18)21(29)25-19-8-6-5-7-9-19;1-2/h10-13,16,19-20H,5-9,14-15H2,1-4H3,(H,25,29)(H,26,30);1-2H3
InChIKeyOZGPNTFHEFQCAH-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.68
Rot. Bonds5

About 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane

1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane (PubChem CID 142858840) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane
PubChem CID142858840
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane
SMILESCC.CC1(C)CC(NC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC(C)(C)N1C=O
InChIInChI=1S/C24H35N3O3.C2H6/c1-23(2)14-20(15-24(3,4)27(23)16-28)26-22(30)18-12-10-17(11-13-18)21(29)25-19-8-6-5-7-9-19;1-2/h10-13,16,19-20H,5-9,14-15H2,1-4H3,(H,25,29)(H,26,30);1-2H3
InChIKeyOZGPNTFHEFQCAH-UHFFFAOYSA-N
XLogP4.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-4-methylbenzamide
CID 3995245
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CID 62165627
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane?
The IUPAC name of 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane (CID 142858840) is 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane.
What is the SMILES notation for 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane?
The canonical SMILES for 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane is CC.CC1(C)CC(NC(=O)c2ccc(C(=O)NC3CCCCC3)cc2)CC(C)(C)N1C=O.
What is the InChIKey of 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane?
The InChIKey is OZGPNTFHEFQCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3.C2H6/c1-23(2)14-20(15-24(3,4)27(23)16-28)26-22(30)18-12-10-17(11-13-18)21(29)25-19-8-6-5-7-9-19;1-2/h10-13,16,19-20H,5-9,14-15H2,1-4H3,(H,25,29)(H,26,30);1-2H3.
What are the key properties of 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane?
1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane has a molecular weight of 443.63 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane is sourced from PubChem (CID 142858840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).