[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C22H23N3O5 — CID 7821898

IUPAC[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESC[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H23N3O5/c1-14(19(27)23-17-10-6-8-15-7-2-3-9-16(15)17)30-18(26)13-25-20(28)22(24-21(25)29)11-4-5-12-22/h2-3,6-10,14H,4-5,11-13H2,1H3,(H,23,27)(H,24,29)/t14-/m1/s1
InChIKeyPUNGMWYAUZAFOT-CQSZACIVSA-N
MW409.44 g/mol
LogP2.57
Rot. Bonds5

About [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821898) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821898
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESC[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H23N3O5/c1-14(19(27)23-17-10-6-8-15-7-2-3-9-16(15)17)30-18(26)13-25-20(28)22(24-21(25)29)11-4-5-12-22/h2-3,6-10,14H,4-5,11-13H2,1H3,(H,23,27)(H,24,29)/t14-/m1/s1
InChIKeyPUNGMWYAUZAFOT-CQSZACIVSA-N
XLogP2.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.57
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-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821390
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 9061243
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565763
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821600
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7898127
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565755
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 4854974
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 46786760
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42986942
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565941

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821898) is [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is PUNGMWYAUZAFOT-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14(19(27)23-17-10-6-8-15-7-2-3-9-16(15)17)30-18(26)13-25-20(28)22(24-21(25)29)11-4-5-12-22/h2-3,6-10,14H,4-5,11-13H2,1H3,(H,23,27)(H,24,29)/t14-/m1/s1.
What are the key properties of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 409.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).