1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

C23H32N4O4 — CID 55359005

IUPAC1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C23H32N4O4/c1-25(23(30)17-14-22(29)27(15-17)20-4-2-3-5-20)16-21(28)24-18-6-8-19(9-7-18)26-10-12-31-13-11-26/h6-9,17,20H,2-5,10-16H2,1H3,(H,24,28)
InChIKeyZRUCLNGWSYWHJL-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.71
Rot. Bonds6

About 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55359005) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55359005
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C23H32N4O4/c1-25(23(30)17-14-22(29)27(15-17)20-4-2-3-5-20)16-21(28)24-18-6-8-19(9-7-18)26-10-12-31-13-11-26/h6-9,17,20H,2-5,10-16H2,1H3,(H,24,28)
InChIKeyZRUCLNGWSYWHJL-UHFFFAOYSA-N
XLogP1.71
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46563457
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375
1-(cyclopropanecarbonyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55630959
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755137
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9303861
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 22110197

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide (CID 55359005) is 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZRUCLNGWSYWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-25(23(30)17-14-22(29)27(15-17)20-4-2-3-5-20)16-21(28)24-18-6-8-19(9-7-18)26-10-12-31-13-11-26/h6-9,17,20H,2-5,10-16H2,1H3,(H,24,28).
What are the key properties of 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55359005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).