N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C18H22N4O5 — CID 7259158

IUPACN-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C18H22N4O5/c1-12(2)22-17(25)16(24)21(18(22)26)11-15(23)19-13-3-5-14(6-4-13)20-7-9-27-10-8-20/h3-6,12H,7-11H2,1-2H3,(H,19,23)
InChIKeySYZMAHSKSVDOJV-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.66
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 7259158) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID7259158
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O
InChIInChI=1S/C18H22N4O5/c1-12(2)22-17(25)16(24)21(18(22)26)11-15(23)19-13-3-5-14(6-4-13)20-7-9-27-10-8-20/h3-6,12H,7-11H2,1-2H3,(H,19,23)
InChIKeySYZMAHSKSVDOJV-UHFFFAOYSA-N
XLogP0.66
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 7259158) is N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)N1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is SYZMAHSKSVDOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-12(2)22-17(25)16(24)21(18(22)26)11-15(23)19-13-3-5-14(6-4-13)20-7-9-27-10-8-20/h3-6,12H,7-11H2,1-2H3,(H,19,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7259158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).