2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

C24H24N4O5 — CID 124540238

IUPAC2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
SMILESCOc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O
InChIInChI=1S/C24H24N4O5/c1-12-6-5-8-14-20(12)26-23(32)24(14)19-18(15(27-24)10-17(25)29)21(30)28(22(19)31)11-13-7-3-4-9-16(13)33-2/h3-9,15,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/t15-,18+,19+,24-/m0/s1
InChIKeyWSYFWXFVZOQPKV-UDQIJZATSA-N
MW448.48 g/mol
LogP0.80
Rot. Bonds5

About 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide

2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide (PubChem CID 124540238) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
PubChem CID124540238
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
SMILESCOc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O
InChIInChI=1S/C24H24N4O5/c1-12-6-5-8-14-20(12)26-23(32)24(14)19-18(15(27-24)10-17(25)29)21(30)28(22(19)31)11-13-7-3-4-9-16(13)33-2/h3-9,15,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/t15-,18+,19+,24-/m0/s1
InChIKeyWSYFWXFVZOQPKV-UDQIJZATSA-N
XLogP0.80
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 163056065
2-[(1S,3S,3aR,6aS)-5-[(2-methoxyphenyl)methyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 29094037
(1R,3S,3aR,6aS)-1-[(1R)-1-hydroxyethyl]-5-[(2-methoxyphenyl)methyl]-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 51690452
(1R,3S,3aS,6aS)-1-[(1R)-1-hydroxyethyl]-5-[(2-methoxyphenyl)methyl]-7'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 162902720
3-[(1R,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-5',7'-dimethyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanamide
CID 163081013
2-[(1R,3S,3aR,6aS)-7'-methyl-2',4,6-trioxo-5-(2-phenylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 26883347
2-[(1S,3S,3aS,6aS)-5'-chloro-5-[(4-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 124540212
2-[(1R,3R,3aS,6aS)-5-benzyl-6',7'-dimethyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 162943824
2-(5-benzyl-6'-chloro-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl)acetamide
CID 4885908
2-[(1S,3R,3aR,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 92506480
2-[(1R,3R,3aR,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 92506479
2-[(1R,3R,3aS,6aS)-5'-chloro-5-[2-(3,4-dimethoxyphenyl)ethyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide
CID 163080544

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
The IUPAC name of 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide (CID 124540238) is 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide.
What is the SMILES notation for 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
The canonical SMILES for 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide is COc1ccccc1CN1C(=O)[C@@H]2[C@H](CC(N)=O)N[C@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O.
What is the InChIKey of 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
The InChIKey is WSYFWXFVZOQPKV-UDQIJZATSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-12-6-5-8-14-20(12)26-23(32)24(14)19-18(15(27-24)10-17(25)29)21(30)28(22(19)31)11-13-7-3-4-9-16(13)33-2/h3-9,15,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/t15-,18+,19+,24-/m0/s1.
What are the key properties of 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide?
2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide has a molecular weight of 448.48 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R,3aS,6aS)-5-[(2-methoxyphenyl)methyl]-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]acetamide is sourced from PubChem (CID 124540238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).