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

C17H21N3O3 — CID 4555040

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-4-6-13(7-5-12)10-18-14(21)11-20-15(22)17(19-16(20)23)8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,23)
InChIKeyPJWPCFJNBDJDPS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.48
Rot. Bonds4

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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 4555040) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID4555040
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-4-6-13(7-5-12)10-18-14(21)11-20-15(22)17(19-16(20)23)8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,23)
InChIKeyPJWPCFJNBDJDPS-UHFFFAOYSA-N
XLogP1.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.48
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[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 4555040) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PJWPCFJNBDJDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-4-6-13(7-5-12)10-18-14(21)11-20-15(22)17(19-16(20)23)8-2-3-9-17/h4-7H,2-3,8-11H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.48, 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[4.4]nonan-3-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 4555040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).