4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide

C22H24N4O4 — CID 49427665

IUPAC4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)CCO1
InChIInChI=1S/C22H24N4O4/c23-20(27)18-14-24(11-12-30-18)15-26-21(28)19(17-9-5-2-6-10-17)25(22(26)29)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H2,23,27)
InChIKeyXEDMXSZJJFKZSU-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.34
Rot. Bonds6

About 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide

4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide (PubChem CID 49427665) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide
PubChem CID49427665
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide
SMILESNC(=O)C1CN(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)CCO1
InChIInChI=1S/C22H24N4O4/c23-20(27)18-14-24(11-12-30-18)15-26-21(28)19(17-9-5-2-6-10-17)25(22(26)29)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H2,23,27)
InChIKeyXEDMXSZJJFKZSU-UHFFFAOYSA-N
XLogP1.34
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide (CID 49427665) is 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide is NC(=O)C1CN(CN2C(=O)C(c3ccccc3)N(Cc3ccccc3)C2=O)CCO1.
What is the InChIKey of 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide?
The InChIKey is XEDMXSZJJFKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c23-20(27)18-14-24(11-12-30-18)15-26-21(28)19(17-9-5-2-6-10-17)25(22(26)29)13-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2,(H2,23,27).
What are the key properties of 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide?
4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 49427665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).