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

C23H35N3O3 — CID 7170041

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)C2=O
InChIInChI=1S/C23H35N3O3/c1-14-3-5-23(6-4-14)20(28)26(21(29)25-23)13-19(27)24-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h14-18H,3-13H2,1-2H3,(H,24,27)(H,25,29)/t14?,15-,16?,17?,18?,22?,23?/m1/s1
InChIKeyOOJMYYCBYCABRP-ADDRFIBBSA-N
MW401.55 g/mol
LogP3.21
Rot. Bonds4

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

N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7170041) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7170041
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)C2=O
InChIInChI=1S/C23H35N3O3/c1-14-3-5-23(6-4-14)20(28)26(21(29)25-23)13-19(27)24-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h14-18H,3-13H2,1-2H3,(H,24,27)(H,25,29)/t14?,15-,16?,17?,18?,22?,23?/m1/s1
InChIKeyOOJMYYCBYCABRP-ADDRFIBBSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.21
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-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821687
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242129
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
(2R)-N-ethyl-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanamide
CID 9401289
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40882995
N-[1-(1-adamantyl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 4804481
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8522010
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98367049
N-[1-(3-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823434
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7170041) is N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)C2=O.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is OOJMYYCBYCABRP-ADDRFIBBSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-14-3-5-23(6-4-14)20(28)26(21(29)25-23)13-19(27)24-15(2)22-10-16-7-17(11-22)9-18(8-16)12-22/h14-18H,3-13H2,1-2H3,(H,24,27)(H,25,29)/t14?,15-,16?,17?,18?,22?,23?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 401.55 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7170041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).