3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide

C23H23N3O4 — CID 56547191

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H23N3O4/c27-19(11-14-26-21(28)23(25-22(26)29)12-5-6-13-23)24-20-15-7-1-3-9-17(15)30-18-10-4-2-8-16(18)20/h1-4,7-10,20H,5-6,11-14H2,(H,24,27)(H,25,29)
InChIKeyNDBHUEQMPMTFHL-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.25
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide (PubChem CID 56547191) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide
PubChem CID56547191
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C23H23N3O4/c27-19(11-14-26-21(28)23(25-22(26)29)12-5-6-13-23)24-20-15-7-1-3-9-17(15)30-18-10-4-2-8-16(18)20/h1-4,7-10,20H,5-6,11-14H2,(H,24,27)(H,25,29)
InChIKeyNDBHUEQMPMTFHL-UHFFFAOYSA-N
XLogP3.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide 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

N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679
N-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 41291477
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide
CID 95179362
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide (CID 56547191) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide?
The InChIKey is NDBHUEQMPMTFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-19(11-14-26-21(28)23(25-22(26)29)12-5-6-13-23)24-20-15-7-1-3-9-17(15)30-18-10-4-2-8-16(18)20/h1-4,7-10,20H,5-6,11-14H2,(H,24,27)(H,25,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide has a molecular weight of 405.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(9H-xanthen-9-yl)propanamide is sourced from PubChem (CID 56547191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).