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

C16H18ClN3O3 — CID 2084824

IUPACN-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3/c17-12-5-3-4-11(8-12)9-18-13(21)10-20-14(22)16(19-15(20)23)6-1-2-7-16/h3-5,8H,1-2,6-7,9-10H2,(H,18,21)(H,19,23)
InChIKeyKRPIAWZOZIWZAB-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.82
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 2084824) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID2084824
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3/c17-12-5-3-4-11(8-12)9-18-13(21)10-20-14(22)16(19-15(20)23)6-1-2-7-16/h3-5,8H,1-2,6-7,9-10H2,(H,18,21)(H,19,23)
InChIKeyKRPIAWZOZIWZAB-UHFFFAOYSA-N
XLogP1.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 2084824) is N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is KRPIAWZOZIWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-5-3-4-11(8-12)9-18-13(21)10-20-14(22)16(19-15(20)23)6-1-2-7-16/h3-5,8H,1-2,6-7,9-10H2,(H,18,21)(H,19,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 335.79 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 2084824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).