N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H28N4O4 — CID 7850189

IUPACN-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C17H28N4O4/c1-12(2)7-10-18-15(24)19-13(22)11-21-14(23)17(20(3)16(21)25)8-5-4-6-9-17/h12H,4-11H2,1-3H3,(H2,18,19,22,24)
InChIKeyDOOPHINTHWGTER-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.46
Rot. Bonds5

About N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7850189) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7850189
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC NameN-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C17H28N4O4/c1-12(2)7-10-18-15(24)19-13(22)11-21-14(23)17(20(3)16(21)25)8-5-4-6-9-17/h12H,4-11H2,1-3H3,(H2,18,19,22,24)
InChIKeyDOOPHINTHWGTER-UHFFFAOYSA-N
XLogP1.46
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7850189) is N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)CCNC(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is DOOPHINTHWGTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-12(2)7-10-18-15(24)19-13(22)11-21-14(23)17(20(3)16(21)25)8-5-4-6-9-17/h12H,4-11H2,1-3H3,(H2,18,19,22,24).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7850189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).