N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C22H23N3O3 — CID 2082034

IUPACN-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c26-18(15-25-20(27)22(24-21(25)28)13-7-8-14-22)23-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2,(H,23,26)(H,24,28)
InChIKeyOOQVOOHQIMNUEH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.76
Rot. Bonds5

About N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 2082034) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID2082034
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23N3O3/c26-18(15-25-20(27)22(24-21(25)28)13-7-8-14-22)23-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2,(H,23,26)(H,24,28)
InChIKeyOOQVOOHQIMNUEH-UHFFFAOYSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 2082034) is N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is OOQVOOHQIMNUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-18(15-25-20(27)22(24-21(25)28)13-7-8-14-22)23-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,19H,7-8,13-15H2,(H,23,26)(H,24,28).
What are the key properties of N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 2082034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).