2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide

C21H25ClN2O3 — CID 42468116

IUPAC2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
SMILESCN1C(=O)C[C@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C21H25ClN2O3/c1-23(19(13-7-8-13)14-9-10-14)17(25)11-21(12-18(26)24(2)20(21)27)15-5-3-4-6-16(15)22/h3-6,13-14,19H,7-12H2,1-2H3/t21-/m1/s1
InChIKeyMJWXEOMGYZOUCX-OAQYLSRUSA-N
MW388.90 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide

2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide (PubChem CID 42468116) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
PubChem CID42468116
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide
SMILESCN1C(=O)C[C@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C21H25ClN2O3/c1-23(19(13-7-8-13)14-9-10-14)17(25)11-21(12-18(26)24(2)20(21)27)15-5-3-4-6-16(15)22/h3-6,13-14,19H,7-12H2,1-2H3/t21-/m1/s1
InChIKeyMJWXEOMGYZOUCX-OAQYLSRUSA-N
XLogP3.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide (CID 42468116) is 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide is CN1C(=O)C[C@](CC(=O)N(C)C(C2CC2)C2CC2)(c2ccccc2Cl)C1=O.
What is the InChIKey of 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
The InChIKey is MJWXEOMGYZOUCX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-23(19(13-7-8-13)14-9-10-14)17(25)11-21(12-18(26)24(2)20(21)27)15-5-3-4-6-16(15)22/h3-6,13-14,19H,7-12H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide?
2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide has a molecular weight of 388.90 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-(dicyclopropylmethyl)-N-methylacetamide is sourced from PubChem (CID 42468116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).