3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide

C20H27N3O3 — CID 26663131

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-15(16-9-5-3-6-10-16)22(2)17(24)11-14-23-18(25)20(21-19(23)26)12-7-4-8-13-20/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,21,26)/t15-/m0/s1
InChIKeyUXXTVSWWUXSPFO-HNNXBMFYSA-N
MW357.45 g/mol
LogP2.85
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 26663131) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID26663131
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H27N3O3/c1-15(16-9-5-3-6-10-16)22(2)17(24)11-14-23-18(25)20(21-19(23)26)12-7-4-8-13-20/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,21,26)/t15-/m0/s1
InChIKeyUXXTVSWWUXSPFO-HNNXBMFYSA-N
XLogP2.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide (CID 26663131) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide is C[C@@H](c1ccccc1)N(C)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is UXXTVSWWUXSPFO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(16-9-5-3-6-10-16)22(2)17(24)11-14-23-18(25)20(21-19(23)26)12-7-4-8-13-20/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H,21,26)/t15-/m0/s1.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 26663131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).