propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate

C19H23N3O5 — CID 7277193

IUPACpropan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C19H23N3O5/c1-12(2)27-16(24)13-5-7-14(8-6-13)20-15(23)11-22-17(25)19(21-18(22)26)9-3-4-10-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,26)
InChIKeyLDTYUIVMRAIUTQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.05
Rot. Bonds5

About propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate

propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate (PubChem CID 7277193) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
PubChem CID7277193
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namepropan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C19H23N3O5/c1-12(2)27-16(24)13-5-7-14(8-6-13)20-15(23)11-22-17(25)19(21-18(22)26)9-3-4-10-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,26)
InChIKeyLDTYUIVMRAIUTQ-UHFFFAOYSA-N
XLogP2.05
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]benzoate
CID 7240794
4-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55888176
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
methyl 4-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]benzoate
CID 7822094
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate (CID 7277193) is propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate?
The InChIKey is LDTYUIVMRAIUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12(2)27-16(24)13-5-7-14(8-6-13)20-15(23)11-22-17(25)19(21-18(22)26)9-3-4-10-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,20,23)(H,21,26).
What are the key properties of propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 7277193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).