N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide

C14H17N3O4 — CID 66073940

IUPACN-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)CNC(C)C1=O
InChIInChI=1S/C14H17N3O4/c1-9-14(20)17(13(19)7-15-9)8-12(18)16-10-5-3-4-6-11(10)21-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyZTMAMIQASQLJKN-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.02
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide

N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide (PubChem CID 66073940) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide
PubChem CID66073940
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)CNC(C)C1=O
InChIInChI=1S/C14H17N3O4/c1-9-14(20)17(13(19)7-15-9)8-12(18)16-10-5-3-4-6-11(10)21-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyZTMAMIQASQLJKN-UHFFFAOYSA-N
XLogP-0.02
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148399
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-methoxyphenyl)acetamide
CID 2936859
2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 124718906
2-[(1S,2S,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 124718908
N-(3-fluorophenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide
CID 66075865
2-[(1R,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 50904210
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
N-(2-methoxyphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 25346939
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4654642
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 63601586

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide (CID 66073940) is N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide is COc1ccccc1NC(=O)CN1C(=O)CNC(C)C1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide?
The InChIKey is ZTMAMIQASQLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-14(20)17(13(19)7-15-9)8-12(18)16-10-5-3-4-6-11(10)21-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide?
N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(3-methyl-2,6-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 66073940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).