N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide

C18H20N4O3 — CID 124607571

IUPACN-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1
InChIInChI=1S/C18H20N4O3/c1-12-4-3-5-15(6-12)20-16(23)11-22-17(24)8-14(18(22)25)7-13-9-19-21(2)10-13/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyPIMUFZUGYNIJOK-CQSZACIVSA-N
MW340.38 g/mol
LogP1.28
Rot. Bonds5

About N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide

N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide (PubChem CID 124607571) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide
PubChem CID124607571
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1
InChIInChI=1S/C18H20N4O3/c1-12-4-3-5-15(6-12)20-16(23)11-22-17(24)8-14(18(22)25)7-13-9-19-21(2)10-13/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyPIMUFZUGYNIJOK-CQSZACIVSA-N
XLogP1.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 51406091
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3530495
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 98232283
(3S)-3-[(1-methylpyrazol-4-yl)methyl]-1-[(3-nitrophenyl)methyl]pyrrolidine-2,5-dione
CID 98346250
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3398584
1-(3-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 110457904
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-(3-methylphenyl)acetamide
CID 124714082
1-(3-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111081414
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylphenyl)propanamide
CID 98208587
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
1-[(2-chloro-4-methoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 71974186

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide (CID 124607571) is N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide?
The InChIKey is PIMUFZUGYNIJOK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-4-3-5-15(6-12)20-16(23)11-22-17(24)8-14(18(22)25)7-13-9-19-21(2)10-13/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide?
N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124607571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).