2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide

C19H25N3O3 — CID 2701855

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccccc1
InChIInChI=1S/C19H25N3O3/c23-16(20-13-10-15-8-4-3-5-9-15)14-22-17(24)19(21-18(22)25)11-6-1-2-7-12-19/h3-5,8-9H,1-2,6-7,10-14H2,(H,20,23)(H,21,25)
InChIKeyTZLYQBVPKYLTKG-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.99
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 2701855) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID2701855
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccccc1
InChIInChI=1S/C19H25N3O3/c23-16(20-13-10-15-8-4-3-5-9-15)14-22-17(24)19(21-18(22)25)11-6-1-2-7-12-19/h3-5,8-9H,1-2,6-7,10-14H2,(H,20,23)(H,21,25)
InChIKeyTZLYQBVPKYLTKG-UHFFFAOYSA-N
XLogP1.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.99
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[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide (CID 2701855) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccccc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is TZLYQBVPKYLTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-16(20-13-10-15-8-4-3-5-9-15)14-22-17(24)19(21-18(22)25)11-6-1-2-7-12-19/h3-5,8-9H,1-2,6-7,10-14H2,(H,20,23)(H,21,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.99, 5 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[4.6]undecan-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2701855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).