N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide

C13H16N4O — CID 103510324

IUPACN-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cncn1C)c1ccccc1N
InChIInChI=1S/C13H16N4O/c1-3-17(11-7-5-4-6-10(11)14)13(18)12-8-15-9-16(12)2/h4-9H,3,14H2,1-2H3
InChIKeyUFRBPKFDUVOZKO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.67
Rot. Bonds3

About N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide

N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide (PubChem CID 103510324) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
PubChem CID103510324
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cncn1C)c1ccccc1N
InChIInChI=1S/C13H16N4O/c1-3-17(11-7-5-4-6-10(11)14)13(18)12-8-15-9-16(12)2/h4-9H,3,14H2,1-2H3
InChIKeyUFRBPKFDUVOZKO-UHFFFAOYSA-N
XLogP1.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
CID 103510337
ethyl 3-[ethyl-(3-methylimidazole-4-carbonyl)amino]benzoate
CID 126807221
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122074
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
N-(2-aminophenyl)-5-chloro-N-ethylthiophene-2-carboxamide
CID 62276098
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269
N-(2-aminophenyl)-N-ethyl-4,5-dimethylthiophene-2-carboxamide
CID 65237675

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide (CID 103510324) is N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide is CCN(C(=O)c1cncn1C)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide?
The InChIKey is UFRBPKFDUVOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17(11-7-5-4-6-10(11)14)13(18)12-8-15-9-16(12)2/h4-9H,3,14H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide?
N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103510324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).