N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide

C14H18N4O3 — CID 79936948

IUPACN-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(=O)N(C)CC2=O)cc1N
InChIInChI=1S/C14H18N4O3/c1-9-3-4-10(5-11(9)15)16-12(19)6-18-8-13(20)17(2)7-14(18)21/h3-5H,6-8,15H2,1-2H3,(H,16,19)
InChIKeyYGYBCUDQYNPCRQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.18
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide

N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide (PubChem CID 79936948) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide
PubChem CID79936948
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CC(=O)N(C)CC2=O)cc1N
InChIInChI=1S/C14H18N4O3/c1-9-3-4-10(5-11(9)15)16-12(19)6-18-8-13(20)17(2)7-14(18)21/h3-5H,6-8,15H2,1-2H3,(H,16,19)
InChIKeyYGYBCUDQYNPCRQ-UHFFFAOYSA-N
XLogP-0.18
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-(4-ethyl-2,5-dioxopiperazin-1-yl)acetamide
CID 79936313
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
N-(3-amino-4-fluorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62492016
N-(3-amino-4-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399667
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770544
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
N-(4-bromo-3-methylphenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2430343

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide (CID 79936948) is N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CC(=O)N(C)CC2=O)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide?
The InChIKey is YGYBCUDQYNPCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-3-4-10(5-11(9)15)16-12(19)6-18-8-13(20)17(2)7-14(18)21/h3-5H,6-8,15H2,1-2H3,(H,16,19).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide?
N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 79936948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).