N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide

C18H15N3O4 — CID 37126955

IUPACN-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide
SMILESO=C1CN(NC(=O)CC2c3ccccc3Oc3ccccc32)C(=O)N1
InChIInChI=1S/C18H15N3O4/c22-16(20-21-10-17(23)19-18(21)24)9-13-11-5-1-3-7-14(11)25-15-8-4-2-6-12(13)15/h1-8,13H,9-10H2,(H,20,22)(H,19,23,24)
InChIKeyLSBIJVOACQXKPO-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.90
Rot. Bonds3

About N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide

N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide (PubChem CID 37126955) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide
PubChem CID37126955
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide
SMILESO=C1CN(NC(=O)CC2c3ccccc3Oc3ccccc32)C(=O)N1
InChIInChI=1S/C18H15N3O4/c22-16(20-21-10-17(23)19-18(21)24)9-13-11-5-1-3-7-14(11)25-15-8-4-2-6-12(13)15/h1-8,13H,9-10H2,(H,20,22)(H,19,23,24)
InChIKeyLSBIJVOACQXKPO-UHFFFAOYSA-N
XLogP1.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide (CID 37126955) is N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide is O=C1CN(NC(=O)CC2c3ccccc3Oc3ccccc32)C(=O)N1.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide?
The InChIKey is LSBIJVOACQXKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-16(20-21-10-17(23)19-18(21)24)9-13-11-5-1-3-7-14(11)25-15-8-4-2-6-12(13)15/h1-8,13H,9-10H2,(H,20,22)(H,19,23,24).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide?
N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-2-(9H-xanthen-9-yl)acetamide is sourced from PubChem (CID 37126955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).