(4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone

C22H40N2O2 — CID 60591447

IUPAC(4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCCC2CN2CC(C)OC(C)C2)CC1
InChIInChI=1S/C22H40N2O2/c1-4-5-7-19-9-11-20(12-10-19)22(25)24-13-6-8-21(24)16-23-14-17(2)26-18(3)15-23/h17-21H,4-16H2,1-3H3
InChIKeyVUQMSAKQHIOUES-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.08
Rot. Bonds6

About (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone

(4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 60591447) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID60591447
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name(4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCCCC1CCC(C(=O)N2CCCC2CN2CC(C)OC(C)C2)CC1
InChIInChI=1S/C22H40N2O2/c1-4-5-7-19-9-11-20(12-10-19)22(25)24-13-6-8-21(24)16-23-14-17(2)26-18(3)15-23/h17-21H,4-16H2,1-3H3
InChIKeyVUQMSAKQHIOUES-UHFFFAOYSA-N
XLogP4.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 60591447) is (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone is CCCCC1CCC(C(=O)N2CCCC2CN2CC(C)OC(C)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is VUQMSAKQHIOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-4-5-7-19-9-11-20(12-10-19)22(25)24-13-6-8-21(24)16-23-14-17(2)26-18(3)15-23/h17-21H,4-16H2,1-3H3.
What are the key properties of (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone?
(4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 364.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 60591447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).