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

C22H32N2O2 — CID 13298444

IUPACN-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1ccccc1)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
InChIKeyPGZRDDYTKFZSFR-JAXLGGSGSA-N
MW356.51 g/mol
LogP3.25
Rot. Bonds4

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

N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (PubChem CID 13298444) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
PubChem CID13298444
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1ccccc1)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
InChIKeyPGZRDDYTKFZSFR-JAXLGGSGSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide (CID 13298444) is N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is CN(C(=O)Cc1ccccc1)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1.
What is the InChIKey of N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is PGZRDDYTKFZSFR-JAXLGGSGSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1.
What are the key properties of N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide?
N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 13298444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).