3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide

C23H25N3O4 — CID 9467840

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)cc1
InChIInChI=1S/C23H25N3O4/c1-16-4-8-18(9-5-16)30-19-10-6-17(7-11-19)24-20(27)12-15-26-21(28)23(25-22(26)29)13-2-3-14-23/h4-11H,2-3,12-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyMQRAXUAOFFNVDN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.98
Rot. Bonds6

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide (PubChem CID 9467840) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
PubChem CID9467840
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)cc1
InChIInChI=1S/C23H25N3O4/c1-16-4-8-18(9-5-16)30-19-10-6-17(7-11-19)24-20(27)12-15-26-21(28)23(25-22(26)29)13-2-3-14-23/h4-11H,2-3,12-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyMQRAXUAOFFNVDN-UHFFFAOYSA-N
XLogP3.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093828
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9467842
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-methoxyanilino)phenyl]propanamide
CID 9117284
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methylsulfanylphenyl)butanamide
CID 18151070
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 55635310
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833231

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide (CID 9467840) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide is Cc1ccc(Oc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)cc1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide?
The InChIKey is MQRAXUAOFFNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-4-8-18(9-5-16)30-19-10-6-17(7-11-19)24-20(27)12-15-26-21(28)23(25-22(26)29)13-2-3-14-23/h4-11H,2-3,12-15H2,1H3,(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-[4-(4-methylphenoxy)phenyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide has a molecular weight of 407.47 g/mol, XLogP of 3.98, 6 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-[4-(4-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 9467840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).