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

C21H29N5O4 — CID 51116578

IUPAC3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H29N5O4/c1-14-7-8-15(17(27)25(2)3)13-16(14)23-19(29)22-11-6-12-26-18(28)21(24-20(26)30)9-4-5-10-21/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,30)(H2,22,23,29)
InChIKeyGEXKPQGPDKNMFT-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.07
Rot. Bonds6

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

3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide (PubChem CID 51116578) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide
PubChem CID51116578
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H29N5O4/c1-14-7-8-15(17(27)25(2)3)13-16(14)23-19(29)22-11-6-12-26-18(28)21(24-20(26)30)9-4-5-10-21/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,30)(H2,22,23,29)
InChIKeyGEXKPQGPDKNMFT-UHFFFAOYSA-N
XLogP2.07
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 46492636
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 41490708
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 17480205
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
CID 51726491
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-ethoxybenzamide
CID 41491110
1-[3-(difluoromethoxy)phenyl]-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47039464
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
N,N,4-trimethyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide
CID 51116577
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 24819945
N,N,4-trimethyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 87009765
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-phenoxybenzamide
CID 41491009
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 71895851

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide (CID 51116578) is 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide?
The InChIKey is GEXKPQGPDKNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-14-7-8-15(17(27)25(2)3)13-16(14)23-19(29)22-11-6-12-26-18(28)21(24-20(26)30)9-4-5-10-21/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,30)(H2,22,23,29).
What are the key properties of 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide?
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide has a molecular weight of 415.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propylcarbamoylamino]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 51116578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).