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

C21H29N3O4 — CID 51647046

IUPAC2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCOCc1ccccc1)C2=O
InChIInChI=1S/C21H29N3O4/c1-16-8-5-6-11-21(16)19(26)24(20(27)23-21)14-18(25)22-12-7-13-28-15-17-9-3-2-4-10-17/h2-4,9-10,16H,5-8,11-15H2,1H3,(H,22,25)(H,23,27)/t16-,21-/m0/s1
InChIKeyBOYITHCQBVSZGB-KKSFZXQISA-N
MW387.48 g/mol
LogP2.21
Rot. Bonds8

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

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 51647046) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
PubChem CID51647046
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCOCc1ccccc1)C2=O
InChIInChI=1S/C21H29N3O4/c1-16-8-5-6-11-21(16)19(26)24(20(27)23-21)14-18(25)22-12-7-13-28-15-17-9-3-2-4-10-17/h2-4,9-10,16H,5-8,11-15H2,1H3,(H,22,25)(H,23,27)/t16-,21-/m0/s1
InChIKeyBOYITHCQBVSZGB-KKSFZXQISA-N
XLogP2.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 8521724
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8572080
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
N-[2-(benzylsulfamoyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55726823
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 92786574
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40895735
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8571975
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3279586
N-[2-(4-chlorophenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703346
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide (CID 51647046) is 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide is C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCOCc1ccccc1)C2=O.
What is the InChIKey of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is BOYITHCQBVSZGB-KKSFZXQISA-N. The full InChI is InChI=1S/C21H29N3O4/c1-16-8-5-6-11-21(16)19(26)24(20(27)23-21)14-18(25)22-12-7-13-28-15-17-9-3-2-4-10-17/h2-4,9-10,16H,5-8,11-15H2,1H3,(H,22,25)(H,23,27)/t16-,21-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide?
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 51647046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).