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

C19H31N3O3 — CID 134020262

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC1CCCCC1N(C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H31N3O3/c1-14-8-3-4-9-15(14)21(2)16(23)10-7-13-22-17(24)19(20-18(22)25)11-5-6-12-19/h14-15H,3-13H2,1-2H3,(H,20,25)
InChIKeyFAURPRSTHFACDI-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.67
Rot. Bonds5

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

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide (PubChem CID 134020262) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide
PubChem CID134020262
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide
SMILESCC1CCCCC1N(C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H31N3O3/c1-14-8-3-4-9-15(14)21(2)16(23)10-7-13-22-17(24)19(20-18(22)25)11-5-6-12-19/h14-15H,3-13H2,1-2H3,(H,20,25)
InChIKeyFAURPRSTHFACDI-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 46978915
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 41291477
N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
CID 30750351
2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid
CID 122067050
3-[3-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124592568
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97201760
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(oxolan-3-ylmethyl)butanamide
CID 55744687
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 32754685

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide (CID 134020262) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide is CC1CCCCC1N(C)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
The InChIKey is FAURPRSTHFACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-8-3-4-9-15(14)21(2)16(23)10-7-13-22-17(24)19(20-18(22)25)11-5-6-12-19/h14-15H,3-13H2,1-2H3,(H,20,25).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-(2-methylcyclohexyl)butanamide has a molecular weight of 349.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 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-methyl-N-(2-methylcyclohexyl)butanamide is sourced from PubChem (CID 134020262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).