2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide

C20H27N3O3 — CID 3429855

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C20H27N3O3/c1-15(16-10-6-5-7-11-16)21-17(24)14-23-18(25)20(22-19(23)26)12-8-3-2-4-9-13-20/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3,(H,21,24)(H,22,26)
InChIKeyPJWLWHAWQXPENL-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.90
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide (PubChem CID 3429855) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide
PubChem CID3429855
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C20H27N3O3/c1-15(16-10-6-5-7-11-16)21-17(24)14-23-18(25)20(22-19(23)26)12-8-3-2-4-9-13-20/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3,(H,21,24)(H,22,26)
InChIKeyPJWLWHAWQXPENL-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide (CID 3429855) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is PJWLWHAWQXPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(16-10-6-5-7-11-16)21-17(24)14-23-18(25)20(22-19(23)26)12-8-3-2-4-9-13-20/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3429855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).