2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

C26H27N3O4 — CID 45175049

IUPAC2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCN1C(=O)CC(CC(=O)N(C)Cc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O
InChIInChI=1S/C26H27N3O4/c1-4-29-24(31)16-26(25(29)32,21-13-9-8-10-18(21)2)15-23(30)28(3)17-20-14-22(33-27-20)19-11-6-5-7-12-19/h5-14H,4,15-17H2,1-3H3
InChIKeyTWTKUKVDTCAUGX-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.72
Rot. Bonds7

About 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide

2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 45175049) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID45175049
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCCN1C(=O)CC(CC(=O)N(C)Cc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O
InChIInChI=1S/C26H27N3O4/c1-4-29-24(31)16-26(25(29)32,21-13-9-8-10-18(21)2)15-23(30)28(3)17-20-14-22(33-27-20)19-11-6-5-7-12-19/h5-14H,4,15-17H2,1-3H3
InChIKeyTWTKUKVDTCAUGX-UHFFFAOYSA-N
XLogP3.72
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide (CID 45175049) is 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is CCN1C(=O)CC(CC(=O)N(C)Cc2cc(-c3ccccc3)on2)(c2ccccc2C)C1=O.
What is the InChIKey of 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is TWTKUKVDTCAUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-4-29-24(31)16-26(25(29)32,21-13-9-8-10-18(21)2)15-23(30)28(3)17-20-14-22(33-27-20)19-11-6-5-7-12-19/h5-14H,4,15-17H2,1-3H3.
What are the key properties of 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide?
2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 45175049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).