[2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C23H33N3O5 — CID 7479938

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O
InChIInChI=1S/C23H33N3O5/c1-14-4-2-3-5-23(14)20(29)26(21(30)25-23)12-19(28)31-13-18(27)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h14-17H,2-13H2,1H3,(H,24,27)(H,25,30)/t14-,15?,16?,17?,22?,23+/m1/s1
InChIKeyACUKKDUGSQCPSJ-JNQQAYDLSA-N
MW431.53 g/mol
LogP2.12
Rot. Bonds5

About [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7479938) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID7479938
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O
InChIInChI=1S/C23H33N3O5/c1-14-4-2-3-5-23(14)20(29)26(21(30)25-23)12-19(28)31-13-18(27)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h14-17H,2-13H2,1H3,(H,24,27)(H,25,30)/t14-,15?,16?,17?,22?,23+/m1/s1
InChIKeyACUKKDUGSQCPSJ-JNQQAYDLSA-N
XLogP2.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469836
2-oxopropyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955763
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11906098
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469634
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955213
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469751
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7986737
[2-(butylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919519
(2-anilino-2-oxoethyl) 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480112
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9072471
[2-(dimethylamino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955397
[2-(2-cyanoethylamino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955355

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7479938) is [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)NC13CC4CC(CC(C4)C1)C3)C2=O.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is ACUKKDUGSQCPSJ-JNQQAYDLSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-14-4-2-3-5-23(14)20(29)26(21(30)25-23)12-19(28)31-13-18(27)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h14-17H,2-13H2,1H3,(H,24,27)(H,25,30)/t14-,15?,16?,17?,22?,23+/m1/s1.
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 431.53 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7479938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).