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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Related Compounds

2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95717579
1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157015900
2-[1'-[(5-methylthiophen-2-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 56892949
2-[(3S)-1'-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95713205
2-[(3R)-1'-[(2,4-difluorophenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95719767
1'-[(3-methoxyphenyl)methyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 155902039
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70723838
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
ethyl 2-[2-oxo-1'-(2,2,2-trifluoroethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetate
CID 83290555
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039

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).