2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride

C17H26Cl2N4O — CID 120595719

IUPAC2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1nccn1CC(C)CNC(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13(12-21-10-9-19-14(21)2)11-20-16(22)17(3,18)15-7-5-4-6-8-15;;/h4-10,13H,11-12,18H2,1-3H3,(H,20,22);2*1H
InChIKeyRLTAMOQLPKJWIR-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.66
Rot. Bonds6

About 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120595719) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120595719
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
SMILESCc1nccn1CC(C)CNC(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13(12-21-10-9-19-14(21)2)11-20-16(22)17(3,18)15-7-5-4-6-8-15;;/h4-10,13H,11-12,18H2,1-3H3,(H,20,22);2*1H
InChIKeyRLTAMOQLPKJWIR-UHFFFAOYSA-N
XLogP2.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
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N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
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4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
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N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
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2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
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1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
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1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
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2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride (CID 120595719) is 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride is Cc1nccn1CC(C)CNC(=O)C(C)(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is RLTAMOQLPKJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-13(12-21-10-9-19-14(21)2)11-20-16(22)17(3,18)15-7-5-4-6-8-15;;/h4-10,13H,11-12,18H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).