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

C22H29N5O5 — CID 22110197

IUPAC2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C22H29N5O5/c1-24(15-26-20(29)21(30)27(22(26)31)18-4-2-3-5-18)14-19(28)23-16-6-8-17(9-7-16)25-10-12-32-13-11-25/h6-9,18H,2-5,10-15H2,1H3,(H,23,28)
InChIKeyIGLSTUHMXFCOOL-UHFFFAOYSA-N
MW443.50 g/mol
LogP1.08
Rot. Bonds7

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

2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 22110197) has the molecular formula C22H29N5O5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID22110197
Molecular FormulaC22H29N5O5
Molecular Weight443.50 g/mol
Exact Mass443.22
IUPAC Name2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C22H29N5O5/c1-24(15-26-20(29)21(30)27(22(26)31)18-4-2-3-5-18)14-19(28)23-16-6-8-17(9-7-16)25-10-12-32-13-11-25/h6-9,18H,2-5,10-15H2,1H3,(H,23,28)
InChIKeyIGLSTUHMXFCOOL-UHFFFAOYSA-N
XLogP1.08
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534741
2-[[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 6599064
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411322
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359005
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
1-(cyclopropanecarbonyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55630959
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 22110197) is 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CN1C(=O)C(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IGLSTUHMXFCOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5/c1-24(15-26-20(29)21(30)27(22(26)31)18-4-2-3-5-18)14-19(28)23-16-6-8-17(9-7-16)25-10-12-32-13-11-25/h6-9,18H,2-5,10-15H2,1H3,(H,23,28).
What are the key properties of 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 443.50 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 22110197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).