2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

C22H31BrN2O2 — CID 22826046

IUPAC2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1
InChIInChI=1S/C22H31BrN2O2/c1-24(21(26)15-17-5-7-18(23)8-6-17)19-9-11-22(10-4-14-27-22)16-20(19)25-12-2-3-13-25/h5-8,19-20H,2-4,9-16H2,1H3/t19-,20-,22-/m1/s1
InChIKeyZHIQCBNENGTNIH-KCZVDYSFSA-N
MW435.41 g/mol
LogP4.02
Rot. Bonds4

About 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (PubChem CID 22826046) has the molecular formula C22H31BrN2O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
PubChem CID22826046
Molecular FormulaC22H31BrN2O2
Molecular Weight435.41 g/mol
Exact Mass434.16
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1
InChIInChI=1S/C22H31BrN2O2/c1-24(21(26)15-17-5-7-18(23)8-6-17)19-9-11-22(10-4-14-27-22)16-20(19)25-12-2-3-13-25/h5-8,19-20H,2-4,9-16H2,1H3/t19-,20-,22-/m1/s1
InChIKeyZHIQCBNENGTNIH-KCZVDYSFSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (CID 22826046) is 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is CN(C(=O)Cc1ccc(Br)cc1)[C@@H]1CC[C@]2(CCCO2)C[C@H]1N1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is ZHIQCBNENGTNIH-KCZVDYSFSA-N. The full InChI is InChI=1S/C22H31BrN2O2/c1-24(21(26)15-17-5-7-18(23)8-6-17)19-9-11-22(10-4-14-27-22)16-20(19)25-12-2-3-13-25/h5-8,19-20H,2-4,9-16H2,1H3/t19-,20-,22-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 435.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 22826046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).