N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H25N3O5 — CID 2622454

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C19H25N3O5/c1-26-14-7-6-13(10-15(14)27-2)11-20-16(23)12-22-17(24)19(21-18(22)25)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyLHTQGFYLJGXLEU-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.57
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2622454) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2622454
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC
InChIInChI=1S/C19H25N3O5/c1-26-14-7-6-13(10-15(14)27-2)11-20-16(23)12-22-17(24)19(21-18(22)25)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyLHTQGFYLJGXLEU-UHFFFAOYSA-N
XLogP1.57
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2622454) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is LHTQGFYLJGXLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-26-14-7-6-13(10-15(14)27-2)11-20-16(23)12-22-17(24)19(21-18(22)25)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2622454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).