2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide

C20H24N4O5 — CID 2534741

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24N4O5/c25-17(21-14-5-7-15(8-6-14)22-9-11-29-12-10-22)13-23-18(26)19(27)24(20(23)28)16-3-1-2-4-16/h5-8,16H,1-4,9-13H2,(H,21,25)
InChIKeyJNDHNQNFBDYOKO-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2534741) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2534741
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24N4O5/c25-17(21-14-5-7-15(8-6-14)22-9-11-29-12-10-22)13-23-18(26)19(27)24(20(23)28)16-3-1-2-4-16/h5-8,16H,1-4,9-13H2,(H,21,25)
InChIKeyJNDHNQNFBDYOKO-UHFFFAOYSA-N
XLogP1.20
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 22110197
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7259158
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
N-[4-(cyanomethyl)phenyl]-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 8954797
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 4880290
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2118924
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612773

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2534741) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is JNDHNQNFBDYOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5/c25-17(21-14-5-7-15(8-6-14)22-9-11-29-12-10-22)13-23-18(26)19(27)24(20(23)28)16-3-1-2-4-16/h5-8,16H,1-4,9-13H2,(H,21,25).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 400.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2534741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).