2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide

C26H32N4O3 — CID 162676478

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide
SMILESCN(C[C@H](Cc1ccccc1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C26H32N4O3/c1-29(22-13-7-3-8-14-22)18-21(17-20-11-5-2-6-12-20)27-23(31)19-30-24(32)26(28-25(30)33)15-9-4-10-16-26/h2-3,5-8,11-14,21H,4,9-10,15-19H2,1H3,(H,27,31)(H,28,33)/t21-/m0/s1
InChIKeyLHZRRJIXNXPHNI-NRFANRHFSA-N
MW448.57 g/mol
LogP3.11
Rot. Bonds8

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide (PubChem CID 162676478) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide
PubChem CID162676478
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide
SMILESCN(C[C@H](Cc1ccccc1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C26H32N4O3/c1-29(22-13-7-3-8-14-22)18-21(17-20-11-5-2-6-12-20)27-23(31)19-30-24(32)26(28-25(30)33)15-9-4-10-16-26/h2-3,5-8,11-14,21H,4,9-10,15-19H2,1H3,(H,27,31)(H,28,33)/t21-/m0/s1
InChIKeyLHZRRJIXNXPHNI-NRFANRHFSA-N
XLogP3.11
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367435
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-methyl-N-phenylacetamide
CID 2701791
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
N-[3-[benzyl(methyl)amino]propyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55452589
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
(2R)-2-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366873
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 55304420

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide (CID 162676478) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide is CN(C[C@H](Cc1ccccc1)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide?
The InChIKey is LHZRRJIXNXPHNI-NRFANRHFSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-29(22-13-7-3-8-14-22)18-21(17-20-11-5-2-6-12-20)27-23(31)19-30-24(32)26(28-25(30)33)15-9-4-10-16-26/h2-3,5-8,11-14,21H,4,9-10,15-19H2,1H3,(H,27,31)(H,28,33)/t21-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-1-(N-methylanilino)-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 162676478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).