[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C22H27N3O5 — CID 55392409

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCCCC12NC(=O)N(CC(=O)OC(C(=O)NC1CC1)c1ccccc1)C2=O
InChIInChI=1S/C22H27N3O5/c1-14-7-5-6-12-22(14)20(28)25(21(29)24-22)13-17(26)30-18(15-8-3-2-4-9-15)19(27)23-16-10-11-16/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3,(H,23,27)(H,24,29)
InChIKeyYMADQRKOCRUFGC-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.05
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55392409) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55392409
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCCCC12NC(=O)N(CC(=O)OC(C(=O)NC1CC1)c1ccccc1)C2=O
InChIInChI=1S/C22H27N3O5/c1-14-7-5-6-12-22(14)20(28)25(21(29)24-22)13-17(26)30-18(15-8-3-2-4-9-15)19(27)23-16-10-11-16/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3,(H,23,27)(H,24,29)
InChIKeyYMADQRKOCRUFGC-UHFFFAOYSA-N
XLogP2.05
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.05
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

[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7715612
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469730
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 8880825
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8603095
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 8880463
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42976879
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11934546
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955613
phenacyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480580
(2-anilino-2-oxoethyl) 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480112

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55392409) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CCCCC12NC(=O)N(CC(=O)OC(C(=O)NC1CC1)c1ccccc1)C2=O.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is YMADQRKOCRUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-14-7-5-6-12-22(14)20(28)25(21(29)24-22)13-17(26)30-18(15-8-3-2-4-9-15)19(27)23-16-10-11-16/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3,(H,23,27)(H,24,29).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 413.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55392409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).