N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide

C71H106N6O10 — CID 158939344

IUPACN-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide
SMILESCC1CO[C@]2(CC[C@H](N(C)C(=O)Cc3ccccc3)[C@@H](N3CCCC3)C2)C1.CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CC(O)CO2)C[C@@H]1N1CCCC1.COCCOCOC1CO[C@]2(CC[C@H](N(C)C(=O)Cc3ccccc3)[C@@H](N3CCCC3)C2)C1
InChIInChI=1S/C26H40N2O5.C23H34N2O2.C22H32N2O3/c1-27(25(29)16-21-8-4-3-5-9-21)23-10-11-26(18-24(23)28-12-6-7-13-28)17-22(19-33-26)32-20-31-15-14-30-2;1-18-15-23(27-17-18)11-10-20(21(16-23)25-12-6-7-13-25)24(2)22(26)14-19-8-4-3-5-9-19;1-23(21(26)13-17-7-3-2-4-8-17)19-9-10-22(14-18(25)16-27-22)15-20(19)24-11-5-6-12-24/h3-5,8-9,22-24H,6-7,10-20H2,1-2H3;3-5,8-9,18,20-21H,6-7,10-17H2,1-2H3;2-4,7-8,18-20,25H,5-6,9-16H2,1H3/t22?,23-,24-,26+;18?,20-,21-,23+;18?,19-,20-,22+/m000/s1
InChIKeyJKAYLZLCTQBVQH-SSZNOQQGSA-N
MW1203.66 g/mol
LogP8.59
Rot. Bonds18

About N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide

N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide (PubChem CID 158939344) has the molecular formula C71H106N6O10 and a molecular weight of 1203.66 g/mol. Its IUPAC name is N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide
PubChem CID158939344
Molecular FormulaC71H106N6O10
Molecular Weight1203.66 g/mol
Exact Mass1202.80
IUPAC NameN-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide
SMILESCC1CO[C@]2(CC[C@H](N(C)C(=O)Cc3ccccc3)[C@@H](N3CCCC3)C2)C1.CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CC(O)CO2)C[C@@H]1N1CCCC1.COCCOCOC1CO[C@]2(CC[C@H](N(C)C(=O)Cc3ccccc3)[C@@H](N3CCCC3)C2)C1
InChIInChI=1S/C26H40N2O5.C23H34N2O2.C22H32N2O3/c1-27(25(29)16-21-8-4-3-5-9-21)23-10-11-26(18-24(23)28-12-6-7-13-28)17-22(19-33-26)32-20-31-15-14-30-2;1-18-15-23(27-17-18)11-10-20(21(16-23)25-12-6-7-13-25)24(2)22(26)14-19-8-4-3-5-9-19;1-23(21(26)13-17-7-3-2-4-8-17)19-9-10-22(14-18(25)16-27-22)15-20(19)24-11-5-6-12-24/h3-5,8-9,22-24H,6-7,10-20H2,1-2H3;3-5,8-9,18,20-21H,6-7,10-17H2,1-2H3;2-4,7-8,18-20,25H,5-6,9-16H2,1H3/t22?,23-,24-,26+;18?,20-,21-,23+;18?,19-,20-,22+/m000/s1
InChIKeyJKAYLZLCTQBVQH-SSZNOQQGSA-N
XLogP8.59
TPSA146.26 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.66
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide?
The IUPAC name of N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide (CID 158939344) is N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide?
The canonical SMILES for N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide is CC1CO[C@]2(CC[C@H](N(C)C(=O)Cc3ccccc3)[C@@H](N3CCCC3)C2)C1.CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CC(O)CO2)C[C@@H]1N1CCCC1.COCCOCOC1CO[C@]2(CC[C@H](N(C)C(=O)Cc3ccccc3)[C@@H](N3CCCC3)C2)C1.
What is the InChIKey of N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide?
The InChIKey is JKAYLZLCTQBVQH-SSZNOQQGSA-N. The full InChI is InChI=1S/C26H40N2O5.C23H34N2O2.C22H32N2O3/c1-27(25(29)16-21-8-4-3-5-9-21)23-10-11-26(18-24(23)28-12-6-7-13-28)17-22(19-33-26)32-20-31-15-14-30-2;1-18-15-23(27-17-18)11-10-20(21(16-23)25-12-6-7-13-25)24(2)22(26)14-19-8-4-3-5-9-19;1-23(21(26)13-17-7-3-2-4-8-17)19-9-10-22(14-18(25)16-27-22)15-20(19)24-11-5-6-12-24/h3-5,8-9,22-24H,6-7,10-20H2,1-2H3;3-5,8-9,18,20-21H,6-7,10-17H2,1-2H3;2-4,7-8,18-20,25H,5-6,9-16H2,1H3/t22?,23-,24-,26+;18?,20-,21-,23+;18?,19-,20-,22+/m000/s1.
What are the key properties of N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide?
N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide has a molecular weight of 1203.66 g/mol, XLogP of 8.59, 18 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S,8S)-3-hydroxy-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-[(5S,7S,8S)-3-(2-methoxyethoxymethoxy)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-N-methyl-2-phenylacetamide;N-methyl-N-[(5R,7S,8S)-3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]-2-phenylacetamide is sourced from PubChem (CID 158939344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).