N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide

C18H31N7O2 — CID 134149149

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide
SMILESNCCCNCCCCNCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C18H31N7O2/c19-9-5-12-20-10-3-4-11-21-13-6-14-22-18(26)15-27-25-17-8-2-1-7-16(17)23-24-25/h1-2,7-8,20-21H,3-6,9-15,19H2,(H,22,26)
InChIKeyKGONOBWIVFYCSK-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.33
Rot. Bonds15

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide (PubChem CID 134149149) has the molecular formula C18H31N7O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide
PubChem CID134149149
Molecular FormulaC18H31N7O2
Molecular Weight377.49 g/mol
Exact Mass377.25
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide
SMILESNCCCNCCCCNCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C18H31N7O2/c19-9-5-12-20-10-3-4-11-21-13-6-14-22-18(26)15-27-25-17-8-2-1-7-16(17)23-24-25/h1-2,7-8,20-21H,3-6,9-15,19H2,(H,22,26)
InChIKeyKGONOBWIVFYCSK-UHFFFAOYSA-N
XLogP-0.33
TPSA119.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide 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

N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134597
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
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
CID 7668396
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-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide (CID 134149149) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide is NCCCNCCCCNCCCNC(=O)COn1nnc2ccccc21.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide?
The InChIKey is KGONOBWIVFYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7O2/c19-9-5-12-20-10-3-4-11-21-13-6-14-22-18(26)15-27-25-17-8-2-1-7-16(17)23-24-25/h1-2,7-8,20-21H,3-6,9-15,19H2,(H,22,26).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide has a molecular weight of 377.49 g/mol, XLogP of -0.33, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide is sourced from PubChem (CID 134149149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).