1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C18H30N2O3 — CID 4063910

IUPAC1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C18H30N2O3/c21-17-11-14(18(22)19-12-16-9-6-10-23-16)13-20(17)15-7-4-2-1-3-5-8-15/h14-16H,1-13H2,(H,19,22)
InChIKeyHZVQOJFNNNURGY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.24
Rot. Bonds4

About 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 4063910) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID4063910
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C18H30N2O3/c21-17-11-14(18(22)19-12-16-9-6-10-23-16)13-20(17)15-7-4-2-1-3-5-8-15/h14-16H,1-13H2,(H,19,22)
InChIKeyHZVQOJFNNNURGY-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 4063910) is 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(C2CCCCCCC2)C1.
What is the InChIKey of 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is HZVQOJFNNNURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-17-11-14(18(22)19-12-16-9-6-10-23-16)13-20(17)15-7-4-2-1-3-5-8-15/h14-16H,1-13H2,(H,19,22).
What are the key properties of 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4063910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).