N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C26H30N2O4 — CID 42324669

IUPACN-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCOc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccccc2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C26H30N2O4/c1-27(18-19-10-4-3-5-11-19)23(29)16-26(21-14-8-9-15-22(21)32-2)17-24(30)28(25(26)31)20-12-6-7-13-20/h3-5,8-11,14-15,20H,6-7,12-13,16-18H2,1-2H3/t26-/m1/s1
InChIKeyOBIOZIMEYRWUCH-AREMUKBSSA-N
MW434.54 g/mol
LogP3.68
Rot. Bonds7

About N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 42324669) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID42324669
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC NameN-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCOc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccccc2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C26H30N2O4/c1-27(18-19-10-4-3-5-11-19)23(29)16-26(21-14-8-9-15-22(21)32-2)17-24(30)28(25(26)31)20-12-6-7-13-20/h3-5,8-11,14-15,20H,6-7,12-13,16-18H2,1-2H3/t26-/m1/s1
InChIKeyOBIOZIMEYRWUCH-AREMUKBSSA-N
XLogP3.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 42324669) is N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is COc1ccccc1[C@@]1(CC(=O)N(C)Cc2ccccc2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is OBIOZIMEYRWUCH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-27(18-19-10-4-3-5-11-19)23(29)16-26(21-14-8-9-15-22(21)32-2)17-24(30)28(25(26)31)20-12-6-7-13-20/h3-5,8-11,14-15,20H,6-7,12-13,16-18H2,1-2H3/t26-/m1/s1.
What are the key properties of N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 434.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R)-1-cyclopentyl-3-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 42324669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).