1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide

C17H29N3O3 — CID 3237581

IUPAC1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C17H29N3O3/c21-16-7-6-15(20(16)14-4-2-1-3-5-14)17(22)18-8-9-19-10-12-23-13-11-19/h14-15H,1-13H2,(H,18,22)
InChIKeyLZZTYXGVCIHAIP-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.76
Rot. Bonds5

About 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3237581) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3237581
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C17H29N3O3/c21-16-7-6-15(20(16)14-4-2-1-3-5-14)17(22)18-8-9-19-10-12-23-13-11-19/h14-15H,1-13H2,(H,18,22)
InChIKeyLZZTYXGVCIHAIP-UHFFFAOYSA-N
XLogP0.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (CID 3237581) is 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCN1CCOCC1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LZZTYXGVCIHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16-7-6-15(20(16)14-4-2-1-3-5-14)17(22)18-8-9-19-10-12-23-13-11-19/h14-15H,1-13H2,(H,18,22).
What are the key properties of 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3237581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).