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

C13H26Cl2N4O2 — CID 120595717

IUPAC4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCC(C)Cn1ccnc1C.Cl.Cl
InChIInChI=1S/C13H24N4O2.2ClH/c1-10(9-17-5-4-15-11(17)2)8-16-13(18)6-12(7-14)19-3;;/h4-5,10,12H,6-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyRJFVNBKKCXKRSQ-UHFFFAOYSA-N
MW341.28 g/mol
LogP1.15
Rot. Bonds8

About 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride (PubChem CID 120595717) has the molecular formula C13H26Cl2N4O2 and a molecular weight of 341.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
PubChem CID120595717
Molecular FormulaC13H26Cl2N4O2
Molecular Weight341.28 g/mol
Exact Mass340.14
IUPAC Name4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCC(C)Cn1ccnc1C.Cl.Cl
InChIInChI=1S/C13H24N4O2.2ClH/c1-10(9-17-5-4-15-11(17)2)8-16-13(18)6-12(7-14)19-3;;/h4-5,10,12H,6-9,14H2,1-3H3,(H,16,18);2*1H
InChIKeyRJFVNBKKCXKRSQ-UHFFFAOYSA-N
XLogP1.15
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride
CID 120589326
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
4-amino-3-methoxy-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide;hydrochloride
CID 120590996
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 120612579
1-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
CID 119857869
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride (CID 120595717) is 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCC(C)Cn1ccnc1C.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
The InChIKey is RJFVNBKKCXKRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.2ClH/c1-10(9-17-5-4-15-11(17)2)8-16-13(18)6-12(7-14)19-3;;/h4-5,10,12H,6-9,14H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 120595717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).