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

C24H24N4O4 — CID 26517721

IUPACN-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide
SMILESCC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12
InChIInChI=1S/C24H24N4O4/c1-4-17-19-20(24(26-17)16-7-5-6-8-18(16)27(3)23(24)32)22(31)28(21(19)30)15-11-9-14(10-12-15)25-13(2)29/h5-12,17,19-20,26H,4H2,1-3H3,(H,25,29)/t17-,19+,20+,24-/m0/s1
InChIKeyVHFZKDXVPXFEJP-PLLBJWBMSA-N
MW432.48 g/mol
LogP2.00
Rot. Bonds3

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

N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide (PubChem CID 26517721) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide
PubChem CID26517721
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide
SMILESCC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12
InChIInChI=1S/C24H24N4O4/c1-4-17-19-20(24(26-17)16-7-5-6-8-18(16)27(3)23(24)32)22(31)28(21(19)30)15-11-9-14(10-12-15)25-13(2)29/h5-12,17,19-20,26H,4H2,1-3H3,(H,25,29)/t17-,19+,20+,24-/m0/s1
InChIKeyVHFZKDXVPXFEJP-PLLBJWBMSA-N
XLogP2.00
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1S,3R,3aS,6aR)-1'-methyl-1-(2-methylsulfanylethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide
CID 124767250
2-[(1S,3S,3aS,6aS)-5-(4-acetamidophenyl)-1'-[(2-chlorophenyl)methyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-1-yl]acetamide
CID 98398163
2-[5-(4-acetamidophenyl)-1'-[(2-chlorophenyl)methyl]-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-1-yl]acetamide
CID 3440148
N-[4-[(1R,3S,3aS,6aR)-1-(2-methylpropyl)-4,6,12'-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-5-yl]phenyl]acetamide
CID 95374743
N-[4-[(1S,3R,3aS,6aS)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide
CID 26518462
(1S,3R,3aS,6aR)-1'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-ethyl-5-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 124835718
2-[(1S,3R,3aS,6aS)-5-benzyl-1-ethyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 27043571
2-[(1R,3R,3aS,6aS)-5-(4-bromophenyl)-1-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 98418550
N-[4-[(1R,3S,3aS,6aS)-4,6,12'-trioxo-1-propan-2-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,6'-indolo[2,1-b]quinazoline]-5-yl]phenyl]acetamide
CID 162938700
(1S,3S,3aS,6aS)-1-benzyl-1'-(2-methylprop-2-enyl)-5-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 51505392
N-[4-[(1S,3R,3aR,6aS)-7'-chloro-1-(1H-indol-3-ylmethyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-5-yl]phenyl]acetamide
CID 98204223
1'-benzyl-1-ethyl-5-naphthalen-1-ylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-2',4,6-trione
CID 3569950

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide (CID 26517721) is N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide is CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12.
What is the InChIKey of N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide?
The InChIKey is VHFZKDXVPXFEJP-PLLBJWBMSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-17-19-20(24(26-17)16-7-5-6-8-18(16)27(3)23(24)32)22(31)28(21(19)30)15-11-9-14(10-12-15)25-13(2)29/h5-12,17,19-20,26H,4H2,1-3H3,(H,25,29)/t17-,19+,20+,24-/m0/s1.
What are the key properties of N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide?
N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,3R,3aS,6aS)-1-ethyl-1'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-indole]-5-yl]phenyl]acetamide is sourced from PubChem (CID 26517721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).