2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

C20H27N3O4 — CID 31286642

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O4/c1-3-16(14-7-9-15(27-2)10-8-14)21-17(24)13-23-18(25)20(22-19(23)26)11-5-4-6-12-20/h7-10,16H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,26)/t16-/m0/s1
InChIKeyUZKRDELGZIJODC-INIZCTEOSA-N
MW373.45 g/mol
LogP2.52
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 31286642) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID31286642
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O4/c1-3-16(14-7-9-15(27-2)10-8-14)21-17(24)13-23-18(25)20(22-19(23)26)11-5-4-6-12-20/h7-10,16H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,26)/t16-/m0/s1
InChIKeyUZKRDELGZIJODC-INIZCTEOSA-N
XLogP2.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (CID 31286642) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@H](NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is UZKRDELGZIJODC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-3-16(14-7-9-15(27-2)10-8-14)21-17(24)13-23-18(25)20(22-19(23)26)11-5-4-6-12-20/h7-10,16H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,26)/t16-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 31286642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).