1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide

C31H60N2O4 — CID 66923569

IUPAC1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide
SMILESCCCC(O)(CCC)[C@@H](CC(C)C)NC(=O)C1(C(=O)N[C@H](CC(C)C)C(O)(CCC)CCC)CCCC1
InChIInChI=1S/C31H60N2O4/c1-9-15-30(36,16-10-2)25(21-23(5)6)32-27(34)29(19-13-14-20-29)28(35)33-26(22-24(7)8)31(37,17-11-3)18-12-4/h23-26,36-37H,9-22H2,1-8H3,(H,32,34)(H,33,35)/t25-,26-/m1/s1
InChIKeyXWWUWDFSJRMCBF-CLJLJLNGSA-N
MW524.83 g/mol
LogP6.27
Rot. Bonds18

About 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide

1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide (PubChem CID 66923569) has the molecular formula C31H60N2O4 and a molecular weight of 524.83 g/mol. Its IUPAC name is 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide
PubChem CID66923569
Molecular FormulaC31H60N2O4
Molecular Weight524.83 g/mol
Exact Mass524.46
IUPAC Name1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide
SMILESCCCC(O)(CCC)[C@@H](CC(C)C)NC(=O)C1(C(=O)N[C@H](CC(C)C)C(O)(CCC)CCC)CCCC1
InChIInChI=1S/C31H60N2O4/c1-9-15-30(36,16-10-2)25(21-23(5)6)32-27(34)29(19-13-14-20-29)28(35)33-26(22-24(7)8)31(37,17-11-3)18-12-4/h23-26,36-37H,9-22H2,1-8H3,(H,32,34)(H,33,35)/t25-,26-/m1/s1
InChIKeyXWWUWDFSJRMCBF-CLJLJLNGSA-N
XLogP6.27
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.83
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide (CID 66923569) is 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide is CCCC(O)(CCC)[C@@H](CC(C)C)NC(=O)C1(C(=O)N[C@H](CC(C)C)C(O)(CCC)CCC)CCCC1.
What is the InChIKey of 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide?
The InChIKey is XWWUWDFSJRMCBF-CLJLJLNGSA-N. The full InChI is InChI=1S/C31H60N2O4/c1-9-15-30(36,16-10-2)25(21-23(5)6)32-27(34)29(19-13-14-20-29)28(35)33-26(22-24(7)8)31(37,17-11-3)18-12-4/h23-26,36-37H,9-22H2,1-8H3,(H,32,34)(H,33,35)/t25-,26-/m1/s1.
What are the key properties of 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide?
1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide has a molecular weight of 524.83 g/mol, XLogP of 6.27, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 66923569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).