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

C17H20FN3O4 — CID 32609722

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H20FN3O4/c1-25-13-10-11(18)4-5-12(13)19-14(22)6-9-21-15(23)17(20-16(21)24)7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyQNTSJWGLBIYDGG-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.03
Rot. Bonds5

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

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide (PubChem CID 32609722) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
PubChem CID32609722
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H20FN3O4/c1-25-13-10-11(18)4-5-12(13)19-14(22)6-9-21-15(23)17(20-16(21)24)7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,19,22)(H,20,24)
InChIKeyQNTSJWGLBIYDGG-UHFFFAOYSA-N
XLogP2.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.03
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

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 17480205
tert-butyl N-[2-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]-4-fluorophenyl]carbamate
CID 56571759
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-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
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[4.5]decan-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7610599
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 42395709
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide
CID 95179362
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9262049

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide (CID 32609722) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide is COc1cc(F)ccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The InChIKey is QNTSJWGLBIYDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-25-13-10-11(18)4-5-12(13)19-14(22)6-9-21-15(23)17(20-16(21)24)7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide has a molecular weight of 349.36 g/mol, XLogP of 2.03, 5 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-fluoro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 32609722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).