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

C25H29N3O4 — CID 55806370

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1OCc1ccccc1)C2=O
InChIInChI=1S/C25H29N3O4/c1-18-11-13-25(14-12-18)23(30)28(24(31)27-25)16-22(29)26-15-20-9-5-6-10-21(20)32-17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyXDVAGAAOPBECFJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.38
Rot. Bonds7

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

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 55806370) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
PubChem CID55806370
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1OCc1ccccc1)C2=O
InChIInChI=1S/C25H29N3O4/c1-18-11-13-25(14-12-18)23(30)28(24(31)27-25)16-22(29)26-15-20-9-5-6-10-21(20)32-17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyXDVAGAAOPBECFJ-UHFFFAOYSA-N
XLogP3.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.38
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

N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
N-(2-benzylsulfanylethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7630358
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-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41087765
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
methyl 2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 2701716
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
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456306
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55671880

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide (CID 55806370) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccccc1OCc1ccccc1)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is XDVAGAAOPBECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-18-11-13-25(14-12-18)23(30)28(24(31)27-25)16-22(29)26-15-20-9-5-6-10-21(20)32-17-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,26,29)(H,27,31).
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55806370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).