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

C18H22BrN3O3 — CID 7677785

IUPACN-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)ccc1Br
InChIInChI=1S/C18H22BrN3O3/c1-12-10-13(6-7-14(12)19)20-15(23)11-22-16(24)18(21(2)17(22)25)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23)
InChIKeyXBDSTCBRBOSORA-UHFFFAOYSA-N
MW408.30 g/mol
LogP3.29
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7677785) has the molecular formula C18H22BrN3O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7677785
Molecular FormulaC18H22BrN3O3
Molecular Weight408.30 g/mol
Exact Mass407.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)ccc1Br
InChIInChI=1S/C18H22BrN3O3/c1-12-10-13(6-7-14(12)19)20-15(23)11-22-16(24)18(21(2)17(22)25)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23)
InChIKeyXBDSTCBRBOSORA-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7677785) is N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XBDSTCBRBOSORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3/c1-12-10-13(6-7-14(12)19)20-15(23)11-22-16(24)18(21(2)17(22)25)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 408.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7677785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).