2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C20H30ClN3O2 — CID 60505527

IUPAC2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCCC1c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H30ClN3O2/c1-20(2,24-10-12-26-13-11-24)15-22-19(25)14-23-9-5-8-18(23)16-6-3-4-7-17(16)21/h3-4,6-7,18H,5,8-15H2,1-2H3,(H,22,25)
InChIKeyXZJUHAOZVBWLBI-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 60505527) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID60505527
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CN1CCCC1c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H30ClN3O2/c1-20(2,24-10-12-26-13-11-24)15-22-19(25)14-23-9-5-8-18(23)16-6-3-4-7-17(16)21/h3-4,6-7,18H,5,8-15H2,1-2H3,(H,22,25)
InChIKeyXZJUHAOZVBWLBI-UHFFFAOYSA-N
XLogP2.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 60505527) is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CN1CCCC1c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is XZJUHAOZVBWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-20(2,24-10-12-26-13-11-24)15-22-19(25)14-23-9-5-8-18(23)16-6-3-4-7-17(16)21/h3-4,6-7,18H,5,8-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 379.93 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 60505527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).