2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide

C15H20N4O — CID 63588905

IUPAC2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-12(10-19-7-6-17-11-19)18-15(20)8-13-2-4-14(9-16)5-3-13/h2-7,11-12H,8-10,16H2,1H3,(H,18,20)
InChIKeyHKCDXLHMZGWSIB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide

2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide (PubChem CID 63588905) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
PubChem CID63588905
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-12(10-19-7-6-17-11-19)18-15(20)8-13-2-4-14(9-16)5-3-13/h2-7,11-12H,8-10,16H2,1H3,(H,18,20)
InChIKeyHKCDXLHMZGWSIB-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63591412
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
CID 94024335
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
1-[3-(aminomethyl)phenyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 61481054
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 51081251
N-(1-imidazol-1-ylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 51079775
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide (CID 63588905) is 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide is CC(Cn1ccnc1)NC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The InChIKey is HKCDXLHMZGWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(10-19-7-6-17-11-19)18-15(20)8-13-2-4-14(9-16)5-3-13/h2-7,11-12H,8-10,16H2,1H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 63588905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).