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

C22H31N3O3 — CID 8522010

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1
InChIInChI=1S/C22H31N3O3/c1-15(2)13-18(17-7-5-4-6-8-17)23-19(26)14-25-20(27)22(24-21(25)28)11-9-16(3)10-12-22/h4-8,15-16,18H,9-14H2,1-3H3,(H,23,26)(H,24,28)/t16?,18-,22?/m0/s1
InChIKeyPVPTYKWJZPNVRF-OJCRERRGSA-N
MW385.51 g/mol
LogP3.39
Rot. Bonds6

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

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 8522010) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
PubChem CID8522010
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1
InChIInChI=1S/C22H31N3O3/c1-15(2)13-18(17-7-5-4-6-8-17)23-19(26)14-25-20(27)22(24-21(25)28)11-9-16(3)10-12-22/h4-8,15-16,18H,9-14H2,1-3H3,(H,23,26)(H,24,28)/t16?,18-,22?/m0/s1
InChIKeyPVPTYKWJZPNVRF-OJCRERRGSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
N-[1-(3-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823434
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43027676
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 24520327
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
N-[(1S)-2-methoxy-1-phenylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 52522358
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028298
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521703
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 8521706
(2R)-N-ethyl-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanamide
CID 9401289

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (CID 8522010) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@H](NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccccc1.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is PVPTYKWJZPNVRF-OJCRERRGSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15(2)13-18(17-7-5-4-6-8-17)23-19(26)14-25-20(27)22(24-21(25)28)11-9-16(3)10-12-22/h4-8,15-16,18H,9-14H2,1-3H3,(H,23,26)(H,24,28)/t16?,18-,22?/m0/s1.
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 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-[(1S)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 8522010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).