N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride

C15H26Cl2N6O2 — CID 134134597

IUPACN-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
SMILESCl.Cl.NCCCNCCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C15H24N6O2.2ClH/c16-8-5-10-17-9-3-4-11-18-15(22)12-23-21-14-7-2-1-6-13(14)19-20-21;;/h1-2,6-7,17H,3-5,8-12,16H2,(H,18,22);2*1H
InChIKeyDYEOORAWJFUQSR-UHFFFAOYSA-N
MW393.32 g/mol
LogP0.54
Rot. Bonds11

About N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride

N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride (PubChem CID 134134597) has the molecular formula C15H26Cl2N6O2 and a molecular weight of 393.32 g/mol. Its IUPAC name is N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
PubChem CID134134597
Molecular FormulaC15H26Cl2N6O2
Molecular Weight393.32 g/mol
Exact Mass392.15
IUPAC NameN-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
SMILESCl.Cl.NCCCNCCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C15H24N6O2.2ClH/c16-8-5-10-17-9-3-4-11-18-15(22)12-23-21-14-7-2-1-6-13(14)19-20-21;;/h1-2,6-7,17H,3-5,8-12,16H2,(H,18,22);2*1H
InChIKeyDYEOORAWJFUQSR-UHFFFAOYSA-N
XLogP0.54
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide
CID 134149149
N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
CID 134137184
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572
2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
CID 7668592
2-(benzotriazol-1-yloxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 47018917
N-(4-aminobutyl)-N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134296
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
CID 7668396
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
ethyl 4-(benzotriazol-1-yloxy)butanoate
CID 86214359
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride?
The IUPAC name of N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride (CID 134134597) is N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride.
What is the SMILES notation for N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride?
The canonical SMILES for N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride is Cl.Cl.NCCCNCCCCNC(=O)COn1nnc2ccccc21.
What is the InChIKey of N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride?
The InChIKey is DYEOORAWJFUQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2.2ClH/c16-8-5-10-17-9-3-4-11-18-15(22)12-23-21-14-7-2-1-6-13(14)19-20-21;;/h1-2,6-7,17H,3-5,8-12,16H2,(H,18,22);2*1H.
What are the key properties of N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride?
N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 0.54, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride is sourced from PubChem (CID 134134597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).