N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide

C19H23BrN4O4 — CID 55879382

IUPACN-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)Nc1ccc(Br)cc1)C2=O
InChIInChI=1S/C19H23BrN4O4/c1-12-6-8-19(9-7-12)17(27)24(18(28)23-19)11-16(26)21-10-15(25)22-14-4-2-13(20)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)
InChIKeyUMNYJDPZIQVKIU-UHFFFAOYSA-N
MW451.32 g/mol
LogP2.00
Rot. Bonds5

About N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide

N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide (PubChem CID 55879382) has the molecular formula C19H23BrN4O4 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
PubChem CID55879382
Molecular FormulaC19H23BrN4O4
Molecular Weight451.32 g/mol
Exact Mass450.09
IUPAC NameN-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)Nc1ccc(Br)cc1)C2=O
InChIInChI=1S/C19H23BrN4O4/c1-12-6-8-19(9-7-12)17(27)24(18(28)23-19)11-16(26)21-10-15(25)22-14-4-2-13(20)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)
InChIKeyUMNYJDPZIQVKIU-UHFFFAOYSA-N
XLogP2.00
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 2578408
N-(2,6-dimethylphenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 7240740
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7240709
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246
N-[4-[(2R)-butan-2-yl]phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240735
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
N-(2,6-dimethylphenyl)-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55304263
methyl 2-chloro-5-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 55556134

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide (CID 55879382) is N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)Nc1ccc(Br)cc1)C2=O.
What is the InChIKey of N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
The InChIKey is UMNYJDPZIQVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O4/c1-12-6-8-19(9-7-12)17(27)24(18(28)23-19)11-16(26)21-10-15(25)22-14-4-2-13(20)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,26)(H,22,25)(H,23,28).
What are the key properties of N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide?
N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide has a molecular weight of 451.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 55879382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).