1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H30N2O2 — CID 3240722

IUPAC1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C18H30N2O2/c21-17-12-14(18(22)19-15-8-6-7-9-15)13-20(17)16-10-4-2-1-3-5-11-16/h14-16H,1-13H2,(H,19,22)
InChIKeyNDVKNIGMMDBIFG-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.01
Rot. Bonds3

About 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide

1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3240722) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3240722
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCC1)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C18H30N2O2/c21-17-12-14(18(22)19-15-8-6-7-9-15)13-20(17)16-10-4-2-1-3-5-11-16/h14-16H,1-13H2,(H,19,22)
InChIKeyNDVKNIGMMDBIFG-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 3240722) is 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCC1)C1CC(=O)N(C2CCCCCCC2)C1.
What is the InChIKey of 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NDVKNIGMMDBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-17-12-14(18(22)19-15-8-6-7-9-15)13-20(17)16-10-4-2-1-3-5-11-16/h14-16H,1-13H2,(H,19,22).
What are the key properties of 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3240722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).