N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C13H14N4O4 — CID 43376263

IUPACN-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(N)cc2)C1=O
InChIInChI=1S/C13H14N4O4/c1-15(9-5-3-8(14)4-6-9)10(18)7-17-12(20)11(19)16(2)13(17)21/h3-6H,7,14H2,1-2H3
InChIKeySQXAVTRQOBIAQR-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.35
Rot. Bonds3

About N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 43376263) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID43376263
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(N)cc2)C1=O
InChIInChI=1S/C13H14N4O4/c1-15(9-5-3-8(14)4-6-9)10(18)7-17-12(20)11(19)16(2)13(17)21/h3-6H,7,14H2,1-2H3
InChIKeySQXAVTRQOBIAQR-UHFFFAOYSA-N
XLogP-0.35
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide
CID 79468372
N-(4-aminophenyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62961589
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63003549
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66311085
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 43376263) is N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(N)cc2)C1=O.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is SQXAVTRQOBIAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-15(9-5-3-8(14)4-6-9)10(18)7-17-12(20)11(19)16(2)13(17)21/h3-6H,7,14H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 290.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 43376263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).