N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

C28H27N3O5 — CID 134082791

IUPACN-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
SMILESCOc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C28H27N3O5/c1-35-22-14-8-13-21(15-22)25-24-26(28(34)30(27(24)33)17-20-11-6-3-7-12-20)36-31(25)18-23(32)29-16-19-9-4-2-5-10-19/h2-15,24-26H,16-18H2,1H3,(H,29,32)
InChIKeyOGCLWOXERBGDMA-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.85
Rot. Bonds8

About N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide

N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide (PubChem CID 134082791) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
PubChem CID134082791
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
SMILESCOc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C28H27N3O5/c1-35-22-14-8-13-21(15-22)25-24-26(28(34)30(27(24)33)17-20-11-6-3-7-12-20)36-31(25)18-23(32)29-16-19-9-4-2-5-10-19/h2-15,24-26H,16-18H2,1H3,(H,29,32)
InChIKeyOGCLWOXERBGDMA-UHFFFAOYSA-N
XLogP2.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide with MolForge

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Related Compounds

2-[3-(3-methoxyphenyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 4985476
2-[3-(3-methoxyphenyl)-5-methyl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 134082911
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(3S,3aR,6aR)-5-benzyl-3-(3-hydroxy-4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98183838
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
(3R,3aS,6aR)-5-benzyl-3-(3-chlorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7481127
(3S,3aR,6aR)-5-benzyl-3-(2-hydroxy-3-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27819754
methyl 3-benzyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 134346997
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
(3R,3aR,6aS)-3-(3-methoxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7494367
(3S,3aS,6aS)-3-(3-methoxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7494368
2-[5-(4-bromophenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide
CID 3513235

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide (CID 134082791) is N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide is COc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3ON2CC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
The InChIKey is OGCLWOXERBGDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-35-22-14-8-13-21(15-22)25-24-26(28(34)30(27(24)33)17-20-11-6-3-7-12-20)36-31(25)18-23(32)29-16-19-9-4-2-5-10-19/h2-15,24-26H,16-18H2,1H3,(H,29,32).
What are the key properties of N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide?
N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-benzyl-3-(3-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]acetamide is sourced from PubChem (CID 134082791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).