3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide

C15H20N4O — CID 43309055

IUPAC3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O/c16-14-5-2-1-4-13(14)6-7-15(20)18-8-3-10-19-11-9-17-12-19/h1-2,4-5,9,11-12H,3,6-8,10,16H2,(H,18,20)
InChIKeyJCEDVMYYPLODME-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.60
Rot. Bonds7

About 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide

3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 43309055) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID43309055
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCCn1ccnc1
InChIInChI=1S/C15H20N4O/c16-14-5-2-1-4-13(14)6-7-15(20)18-8-3-10-19-11-9-17-12-19/h1-2,4-5,9,11-12H,3,6-8,10,16H2,(H,18,20)
InChIKeyJCEDVMYYPLODME-UHFFFAOYSA-N
XLogP1.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide (CID 43309055) is 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide is Nc1ccccc1CCC(=O)NCCCn1ccnc1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is JCEDVMYYPLODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-14-5-2-1-4-13(14)6-7-15(20)18-8-3-10-19-11-9-17-12-19/h1-2,4-5,9,11-12H,3,6-8,10,16H2,(H,18,20).
What are the key properties of 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide?
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 43309055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).