2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride

C15H22Cl2N4O — CID 120669271

IUPAC2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCn2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-12-3-5-13(6-4-12)14(16)15(20)18-7-2-9-19-10-8-17-11-19;;/h3-6,8,10-11,14H,2,7,9,16H2,1H3,(H,18,20);2*1H
InChIKeyDFDMNTNWZLRUOT-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.24
Rot. Bonds6

About 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669271) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669271
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCn2ccnc2)cc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-12-3-5-13(6-4-12)14(16)15(20)18-7-2-9-19-10-8-17-11-19;;/h3-6,8,10-11,14H,2,7,9,16H2,1H3,(H,18,20);2*1H
InChIKeyDFDMNTNWZLRUOT-UHFFFAOYSA-N
XLogP2.24
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668367
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
3-imidazol-1-ylpropylurea
CID 22179621
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106151661
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669271) is 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCCCn2ccnc2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is DFDMNTNWZLRUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-12-3-5-13(6-4-12)14(16)15(20)18-7-2-9-19-10-8-17-11-19;;/h3-6,8,10-11,14H,2,7,9,16H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).