N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide

C14H18N4O — CID 103510337

IUPACN-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
SMILESCCCN(C(=O)c1cncn1C)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-3-7-18(12-6-4-5-11(15)8-12)14(19)13-9-16-10-17(13)2/h4-6,8-10H,3,7,15H2,1-2H3
InChIKeyOQZYOHYAQJLLBT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.06
Rot. Bonds4

About N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide

N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide (PubChem CID 103510337) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
PubChem CID103510337
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide
SMILESCCCN(C(=O)c1cncn1C)c1cccc(N)c1
InChIInChI=1S/C14H18N4O/c1-3-7-18(12-6-4-5-11(15)8-12)14(19)13-9-16-10-17(13)2/h4-6,8-10H,3,7,15H2,1-2H3
InChIKeyOQZYOHYAQJLLBT-UHFFFAOYSA-N
XLogP2.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.06
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-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
CID 102801161
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
ethyl 3-[ethyl-(3-methylimidazole-4-carbonyl)amino]benzoate
CID 126807221
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269
N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
CID 63723674
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(2-aminophenyl)-N-ethyl-3-methylimidazole-4-carboxamide
CID 103510324
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide?
The IUPAC name of N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide (CID 103510337) is N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide is CCCN(C(=O)c1cncn1C)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide?
The InChIKey is OQZYOHYAQJLLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-7-18(12-6-4-5-11(15)8-12)14(19)13-9-16-10-17(13)2/h4-6,8-10H,3,7,15H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide?
N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-methyl-N-propylimidazole-4-carboxamide is sourced from PubChem (CID 103510337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).