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

C19H25N3O4 — CID 2527994

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-26-15-8-6-14(7-9-15)12-20-16(23)13-22-17(24)19(21-18(22)25)10-4-2-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,20,23)(H,21,25)
InChIKeyQERAXQHCRRLAOJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.96
Rot. Bonds5

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

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2527994) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2527994
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H25N3O4/c1-26-15-8-6-14(7-9-15)12-20-16(23)13-22-17(24)19(21-18(22)25)10-4-2-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,20,23)(H,21,25)
InChIKeyQERAXQHCRRLAOJ-UHFFFAOYSA-N
XLogP1.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.96
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[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 2527994) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QERAXQHCRRLAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-26-15-8-6-14(7-9-15)12-20-16(23)13-22-17(24)19(21-18(22)25)10-4-2-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(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-[(4-methoxyphenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.96, 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[4.6]undecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2527994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).