2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C21H23N3O3 — CID 95712349

IUPAC2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCOc1cccc(CN2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)c1
InChIInChI=1S/C21H23N3O3/c1-27-16-6-4-5-15(11-16)12-23-10-9-21(14-23)17-7-2-3-8-18(17)24(20(21)26)13-19(22)25/h2-8,11H,9-10,12-14H2,1H3,(H2,22,25)/t21-/m0/s1
InChIKeyYSQRXOBYXHFKFM-NRFANRHFSA-N
MW365.43 g/mol
LogP1.67
Rot. Bonds5

About 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 95712349) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID95712349
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCOc1cccc(CN2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)c1
InChIInChI=1S/C21H23N3O3/c1-27-16-6-4-5-15(11-16)12-23-10-9-21(14-23)17-7-2-3-8-18(17)24(20(21)26)13-19(22)25/h2-8,11H,9-10,12-14H2,1H3,(H2,22,25)/t21-/m0/s1
InChIKeyYSQRXOBYXHFKFM-NRFANRHFSA-N
XLogP1.67
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 95712349) is 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is COc1cccc(CN2CC[C@@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)c1.
What is the InChIKey of 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is YSQRXOBYXHFKFM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-16-6-4-5-15(11-16)12-23-10-9-21(14-23)17-7-2-3-8-18(17)24(20(21)26)13-19(22)25/h2-8,11H,9-10,12-14H2,1H3,(H2,22,25)/t21-/m0/s1.
What are the key properties of 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1'-[(3-methoxyphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 95712349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).