1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide

C16H27N3O3 — CID 126829065

IUPAC1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide
SMILESCC1CC(C(=O)N2CC(C(N)=O)C(C(N)=O)C2)CC(C)(C)C1
InChIInChI=1S/C16H27N3O3/c1-9-4-10(6-16(2,3)5-9)15(22)19-7-11(13(17)20)12(8-19)14(18)21/h9-12H,4-8H2,1-3H3,(H2,17,20)(H2,18,21)
InChIKeyBEHUHJSIGZPICJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.49
Rot. Bonds3

About 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide

1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide (PubChem CID 126829065) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide
PubChem CID126829065
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide
SMILESCC1CC(C(=O)N2CC(C(N)=O)C(C(N)=O)C2)CC(C)(C)C1
InChIInChI=1S/C16H27N3O3/c1-9-4-10(6-16(2,3)5-9)15(22)19-7-11(13(17)20)12(8-19)14(18)21/h9-12H,4-8H2,1-3H3,(H2,17,20)(H2,18,21)
InChIKeyBEHUHJSIGZPICJ-UHFFFAOYSA-N
XLogP0.49
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide?
The IUPAC name of 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide (CID 126829065) is 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide is CC1CC(C(=O)N2CC(C(N)=O)C(C(N)=O)C2)CC(C)(C)C1.
What is the InChIKey of 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide?
The InChIKey is BEHUHJSIGZPICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-9-4-10(6-16(2,3)5-9)15(22)19-7-11(13(17)20)12(8-19)14(18)21/h9-12H,4-8H2,1-3H3,(H2,17,20)(H2,18,21).
What are the key properties of 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide?
1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5-trimethylcyclohexanecarbonyl)pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 126829065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).