N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H25N3O4 — CID 2118500

IUPACN-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C19H25N3O4/c1-13-7-9-19(10-8-13)17(24)22(18(25)21-19)12-16(23)20-11-14-5-3-4-6-15(14)26-2/h3-6,13H,7-12H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXKTVBQNOAKLYRB-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.81
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2118500) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2118500
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C19H25N3O4/c1-13-7-9-19(10-8-13)17(24)22(18(25)21-19)12-16(23)20-11-14-5-3-4-6-15(14)26-2/h3-6,13H,7-12H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXKTVBQNOAKLYRB-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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 N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2118500) is N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccccc1CNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XKTVBQNOAKLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-7-9-19(10-8-13)17(24)22(18(25)21-19)12-16(23)20-11-14-5-3-4-6-15(14)26-2/h3-6,13H,7-12H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2118500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).