N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide

C12H17N5O2 — CID 134137184

IUPACN-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
SMILESNCCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C12H17N5O2/c13-7-3-4-8-14-12(18)9-19-17-11-6-2-1-5-10(11)15-16-17/h1-2,5-6H,3-4,7-9,13H2,(H,14,18)
InChIKeyCLVCOCGWAAWFOZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.28
Rot. Bonds7

About N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide

N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide (PubChem CID 134137184) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
PubChem CID134137184
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
SMILESNCCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C12H17N5O2/c13-7-3-4-8-14-12(18)9-19-17-11-6-2-1-5-10(11)15-16-17/h1-2,5-6H,3-4,7-9,13H2,(H,14,18)
InChIKeyCLVCOCGWAAWFOZ-UHFFFAOYSA-N
XLogP-0.28
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminopropylamino)butyl]-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134597
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(benzotriazol-1-yloxy)acetamide
CID 134149149
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
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
ethyl 4-(benzotriazol-1-yloxy)butanoate
CID 86214359
2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7668531

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide?
The IUPAC name of N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide (CID 134137184) is N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide.
What is the SMILES notation for N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide?
The canonical SMILES for N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide is NCCCCNC(=O)COn1nnc2ccccc21.
What is the InChIKey of N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide?
The InChIKey is CLVCOCGWAAWFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-7-3-4-8-14-12(18)9-19-17-11-6-2-1-5-10(11)15-16-17/h1-2,5-6H,3-4,7-9,13H2,(H,14,18).
What are the key properties of N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide?
N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide has a molecular weight of 263.30 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide is sourced from PubChem (CID 134137184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).