2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

C18H23N3O4 — CID 9116668

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H23N3O4/c1-25-14-7-3-2-6-13(14)8-11-19-15(22)12-21-16(23)18(20-17(21)24)9-4-5-10-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyYWEUMHYHALDLGZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.22
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 9116668) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID9116668
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H23N3O4/c1-25-14-7-3-2-6-13(14)8-11-19-15(22)12-21-16(23)18(20-17(21)24)9-4-5-10-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,20,24)
InChIKeyYWEUMHYHALDLGZ-UHFFFAOYSA-N
XLogP1.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.22
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[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 9116668) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is YWEUMHYHALDLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-25-14-7-3-2-6-13(14)8-11-19-15(22)12-21-16(23)18(20-17(21)24)9-4-5-10-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.22, 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[4.4]nonan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 9116668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).