2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide

C16H22N4O — CID 80555090

IUPAC2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide
SMILESCC(Cn1ccnc1)NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H22N4O/c1-12(10-20-9-8-18-11-20)19-15(21)16(2,3)13-4-6-14(17)7-5-13/h4-9,11-12H,10,17H2,1-3H3,(H,19,21)
InChIKeyYMAPLCSTNBQOGL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide (PubChem CID 80555090) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide
PubChem CID80555090
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide
SMILESCC(Cn1ccnc1)NC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H22N4O/c1-12(10-20-9-8-18-11-20)19-15(21)16(2,3)13-4-6-14(17)7-5-13/h4-9,11-12H,10,17H2,1-3H3,(H,19,21)
InChIKeyYMAPLCSTNBQOGL-UHFFFAOYSA-N
XLogP1.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.95
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

2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride
CID 120595679
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
6-amino-N-(1-imidazol-1-ylpropan-2-yl)pyridazine-3-carboxamide
CID 62185317
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
methyl N-[4-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]phenyl]carbamate
CID 95574102
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide (CID 80555090) is 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide is CC(Cn1ccnc1)NC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide?
The InChIKey is YMAPLCSTNBQOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(10-20-9-8-18-11-20)19-15(21)16(2,3)13-4-6-14(17)7-5-13/h4-9,11-12H,10,17H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 80555090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).