N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide

C15H25N3O3 — CID 30750351

IUPACN-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-3-4-10-17(2)12(19)7-11-18-13(20)15(16-14(18)21)8-5-6-9-15/h3-11H2,1-2H3,(H,16,21)
InChIKeyIDRMQRFVPPFGDW-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.50
Rot. Bonds6

About N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide

N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide (PubChem CID 30750351) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
PubChem CID30750351
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-3-4-10-17(2)12(19)7-11-18-13(20)15(16-14(18)21)8-5-6-9-15/h3-11H2,1-2H3,(H,16,21)
InChIKeyIDRMQRFVPPFGDW-UHFFFAOYSA-N
XLogP1.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.50
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

3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9476594
N-butyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methylacetamide
CID 51215310
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
CID 30971314
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 27784262
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 17413624
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 32754685
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
CID 26663131
N-(3-aminopropyl)-N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 120649218
2-[cyclopropyl-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]amino]propanoic acid
CID 122067050

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide?
The IUPAC name of N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide (CID 30750351) is N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide?
The canonical SMILES for N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide is CCCCN(C)C(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide?
The InChIKey is IDRMQRFVPPFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-4-10-17(2)12(19)7-11-18-13(20)15(16-14(18)21)8-5-6-9-15/h3-11H2,1-2H3,(H,16,21).
What are the key properties of N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide?
N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylpropanamide is sourced from PubChem (CID 30750351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).