2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide

C15H20N4O — CID 119859022

IUPAC2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
SMILESCC(CNC(=O)Cc1ccc(N)cc1)Cn1ccnc1
InChIInChI=1S/C15H20N4O/c1-12(10-19-7-6-17-11-19)9-18-15(20)8-13-2-4-14(16)5-3-13/h2-7,11-12H,8-10,16H2,1H3,(H,18,20)
InChIKeyTXIHJTAWPUQHGO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.46
Rot. Bonds6

About 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide

2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide (PubChem CID 119859022) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
PubChem CID119859022
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
SMILESCC(CNC(=O)Cc1ccc(N)cc1)Cn1ccnc1
InChIInChI=1S/C15H20N4O/c1-12(10-19-7-6-17-11-19)9-18-15(20)8-13-2-4-14(16)5-3-13/h2-7,11-12H,8-10,16H2,1H3,(H,18,20)
InChIKeyTXIHJTAWPUQHGO-UHFFFAOYSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
1-amino-N-(3-imidazol-1-yl-2-methylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119859039
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63591412
1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
CID 95598107
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide (CID 119859022) is 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide is CC(CNC(=O)Cc1ccc(N)cc1)Cn1ccnc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide?
The InChIKey is TXIHJTAWPUQHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(10-19-7-6-17-11-19)9-18-15(20)8-13-2-4-14(16)5-3-13/h2-7,11-12H,8-10,16H2,1H3,(H,18,20).
What are the key properties of 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide?
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide is sourced from PubChem (CID 119859022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).