N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide

C13H15N3O4 — CID 61311165

IUPACN-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)COCC2=O)c(N)c1
InChIInChI=1S/C13H15N3O4/c1-8-2-3-10(9(14)4-8)15-11(17)5-16-12(18)6-20-7-13(16)19/h2-4H,5-7,14H2,1H3,(H,15,17)
InChIKeyIDOPKLLESKUCCP-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.10
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide

N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide (PubChem CID 61311165) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
PubChem CID61311165
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)COCC2=O)c(N)c1
InChIInChI=1S/C13H15N3O4/c1-8-2-3-10(9(14)4-8)15-11(17)5-16-12(18)6-20-7-13(16)19/h2-4H,5-7,14H2,1H3,(H,15,17)
InChIKeyIDOPKLLESKUCCP-UHFFFAOYSA-N
XLogP-0.10
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596286
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 41316268
N-(2-bromophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18774340
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(2-amino-4-methylphenyl)-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733453

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide (CID 61311165) is N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)COCC2=O)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide?
The InChIKey is IDOPKLLESKUCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8-2-3-10(9(14)4-8)15-11(17)5-16-12(18)6-20-7-13(16)19/h2-4H,5-7,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide has a molecular weight of 277.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide is sourced from PubChem (CID 61311165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).