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

C16H26N2O3 — CID 2989850

IUPAC1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C16H26N2O3/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h12-14H,1-11H2,(H,17,20)
InChIKeyAKDODHQNUBLKDI-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.46
Rot. Bonds4

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

1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 2989850) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID2989850
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C16H26N2O3/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h12-14H,1-11H2,(H,17,20)
InChIKeyAKDODHQNUBLKDI-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 2989850) is 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCO1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is AKDODHQNUBLKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15-9-12(11-18(15)13-5-2-1-3-6-13)16(20)17-10-14-7-4-8-21-14/h12-14H,1-11H2,(H,17,20).
What are the key properties of 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2989850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).