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

C20H27N3O4 — CID 2483511

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C20H27N3O4/c1-27-16-9-7-15(8-10-16)13-21-17(24)14-23-18(25)20(22-19(23)26)11-5-3-2-4-6-12-20/h7-10H,2-6,11-14H2,1H3,(H,21,24)(H,22,26)
InChIKeyQGCLFUSOALRPPU-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.35
Rot. Bonds5

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

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2483511) 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[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2483511
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C20H27N3O4/c1-27-16-9-7-15(8-10-16)13-21-17(24)14-23-18(25)20(22-19(23)26)11-5-3-2-4-6-12-20/h7-10H,2-6,11-14H2,1H3,(H,21,24)(H,22,26)
InChIKeyQGCLFUSOALRPPU-UHFFFAOYSA-N
XLogP2.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.35
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[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 2483511) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QGCLFUSOALRPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-27-16-9-7-15(8-10-16)13-21-17(24)14-23-18(25)20(22-19(23)26)11-5-3-2-4-6-12-20/h7-10H,2-6,11-14H2,1H3,(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-[(4-methoxyphenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 373.45 g/mol, XLogP of 2.35, 5 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[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2483511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).