N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide

C15H20N4O — CID 43198918

IUPACN-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H20N4O/c1-11(2)15-17-8-10-19(15)9-7-14(20)18-13-6-4-3-5-12(13)16/h3-6,8,10-11H,7,9,16H2,1-2H3,(H,18,20)
InChIKeySUDXIDQSMHIVEA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds5

About N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide

N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 43198918) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID43198918
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H20N4O/c1-11(2)15-17-8-10-19(15)9-7-14(20)18-13-6-4-3-5-12(13)16/h3-6,8,10-11H,7,9,16H2,1-2H3,(H,18,20)
InChIKeySUDXIDQSMHIVEA-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 43825670
N-(2-hydroxy-2-phenylpropyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 111825070
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 71917642
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CID 119422035
N-(2-aminophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130518
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
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N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
N-(2-aminophenyl)-3-(3-cyclopropyl-2-oxoimidazol-1-yl)propanamide
CID 80579397
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371
1-(4-fluorophenyl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 43793253

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 43198918) is N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is SUDXIDQSMHIVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)15-17-8-10-19(15)9-7-14(20)18-13-6-4-3-5-12(13)16/h3-6,8,10-11H,7,9,16H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 43198918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).