N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

C22H25N3O4 — CID 53063982

IUPACN-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O
InChIInChI=1S/C22H25N3O4/c1-16-6-5-7-17(12-16)14-24-10-11-25(22(28)21(24)27)15-20(26)23-13-18-8-3-4-9-19(18)29-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,26)
InChIKeyPPGFJDXITFMVQX-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.49
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 53063982) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID53063982
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O
InChIInChI=1S/C22H25N3O4/c1-16-6-5-7-17(12-16)14-24-10-11-25(22(28)21(24)27)15-20(26)23-13-18-8-3-4-9-19(18)29-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,26)
InChIKeyPPGFJDXITFMVQX-UHFFFAOYSA-N
XLogP1.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034572
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686502
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[(4-fluorophenyl)methyl]-2-[4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063897
2-(N-ethyl-3-methylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998497
N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063930

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (CID 53063982) is N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is COc1ccccc1CNC(=O)CN1CCN(Cc2cccc(C)c2)C(=O)C1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is PPGFJDXITFMVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16-6-5-7-17(12-16)14-24-10-11-25(22(28)21(24)27)15-20(26)23-13-18-8-3-4-9-19(18)29-2/h3-9,12H,10-11,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 53063982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).