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

C20H35N3O3 — CID 3241536

IUPACN-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCCC2)CCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C20H35N3O3/c1-20(19(25)21-17-7-5-3-2-4-6-8-17)10-9-18(24)23(20)12-11-22-13-15-26-16-14-22/h17H,2-16H2,1H3,(H,21,25)
InChIKeyPKJPFPYJSKZXHC-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.93
Rot. Bonds5

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

N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3241536) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3241536
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCCCCC2)CCC(=O)N1CCN1CCOCC1
InChIInChI=1S/C20H35N3O3/c1-20(19(25)21-17-7-5-3-2-4-6-8-17)10-9-18(24)23(20)12-11-22-13-15-26-16-14-22/h17H,2-16H2,1H3,(H,21,25)
InChIKeyPKJPFPYJSKZXHC-UHFFFAOYSA-N
XLogP1.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide (CID 3241536) is N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1CCN1CCOCC1.
What is the InChIKey of N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PKJPFPYJSKZXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-20(19(25)21-17-7-5-3-2-4-6-8-17)10-9-18(24)23(20)12-11-22-13-15-26-16-14-22/h17H,2-16H2,1H3,(H,21,25).
What are the key properties of N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide?
N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3241536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).