2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C23H29ClN2O3 — CID 42500376

IUPAC2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C23H29ClN2O3/c1-4-25(15-16(2)3)20(27)13-23(18-11-7-8-12-19(18)24)14-21(28)26(22(23)29)17-9-5-6-10-17/h7-8,11-12,17H,2,4-6,9-10,13-15H2,1,3H3/t23-/m1/s1
InChIKeyURTLZGTVKCWJLH-HSZRJFAPSA-N
MW416.95 g/mol
LogP4.09
Rot. Bonds7

About 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 42500376) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID42500376
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C23H29ClN2O3/c1-4-25(15-16(2)3)20(27)13-23(18-11-7-8-12-19(18)24)14-21(28)26(22(23)29)17-9-5-6-10-17/h7-8,11-12,17H,2,4-6,9-10,13-15H2,1,3H3/t23-/m1/s1
InChIKeyURTLZGTVKCWJLH-HSZRJFAPSA-N
XLogP4.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 42500376) is 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is URTLZGTVKCWJLH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-4-25(15-16(2)3)20(27)13-23(18-11-7-8-12-19(18)24)14-21(28)26(22(23)29)17-9-5-6-10-17/h7-8,11-12,17H,2,4-6,9-10,13-15H2,1,3H3/t23-/m1/s1.
What are the key properties of 2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 416.95 g/mol, XLogP of 4.09, 7 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-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 42500376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).