4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide

C19H27N3O3S — CID 51214574

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
SMILESCC(C)C(NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1cccs1
InChIInChI=1S/C19H27N3O3S/c1-13(2)16(14-7-6-12-26-14)20-15(23)8-5-11-22-17(24)19(21-18(22)25)9-3-4-10-19/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyHIJBJXZQDUNOLF-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.21
Rot. Bonds7

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide (PubChem CID 51214574) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
PubChem CID51214574
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
SMILESCC(C)C(NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1cccs1
InChIInChI=1S/C19H27N3O3S/c1-13(2)16(14-7-6-12-26-14)20-15(23)8-5-11-22-17(24)19(21-18(22)25)9-3-4-10-19/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyHIJBJXZQDUNOLF-UHFFFAOYSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.21
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-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 52523120
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]butanamide
CID 8756915
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 134043349
2-(1-aminocyclopentyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 64685035
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55478012
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 8732700
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9396548
5-amino-N-(2-methyl-1-thiophen-2-ylpropyl)hexanamide
CID 82848158
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 8732916
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55615013
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 41144668
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55430587

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide (CID 51214574) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide is CC(C)C(NC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)c1cccs1.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
The InChIKey is HIJBJXZQDUNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13(2)16(14-7-6-12-26-14)20-15(23)8-5-11-22-17(24)19(21-18(22)25)9-3-4-10-19/h6-7,12-13,16H,3-5,8-11H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide has a molecular weight of 377.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide is sourced from PubChem (CID 51214574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).