N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C20H26BrN3O3 — CID 129419325

IUPACN-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C20H26BrN3O3/c1-3-16(14-7-9-15(21)10-8-14)22-17(25)12-24-18(26)20(23-19(24)27)11-5-4-6-13(20)2/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,27)/t13-,16+,20-/m1/s1
InChIKeySMPDSUJLCHAFTL-JOTOCRJQSA-N
MW436.35 g/mol
LogP3.52
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 129419325) has the molecular formula C20H26BrN3O3 and a molecular weight of 436.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID129419325
Molecular FormulaC20H26BrN3O3
Molecular Weight436.35 g/mol
Exact Mass435.12
IUPAC NameN-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1
InChIInChI=1S/C20H26BrN3O3/c1-3-16(14-7-9-15(21)10-8-14)22-17(25)12-24-18(26)20(23-19(24)27)11-5-4-6-13(20)2/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,27)/t13-,16+,20-/m1/s1
InChIKeySMPDSUJLCHAFTL-JOTOCRJQSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11906079
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
4-bromo-N'-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]benzohydrazide
CID 2538583
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8571968
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55595904
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
CID 119348552
N-[(2R)-heptan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11929918
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 55921450

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 129419325) is N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is SMPDSUJLCHAFTL-JOTOCRJQSA-N. The full InChI is InChI=1S/C20H26BrN3O3/c1-3-16(14-7-9-15(21)10-8-14)22-17(25)12-24-18(26)20(23-19(24)27)11-5-4-6-13(20)2/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,22,25)(H,23,27)/t13-,16+,20-/m1/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 436.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)propyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 129419325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).