N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide

C17H16N4O4 — CID 23610176

IUPACN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N4O4/c22-17(10-21-14-4-2-1-3-13(14)19-20-21)18-7-8-23-12-5-6-15-16(9-12)25-11-24-15/h1-6,9H,7-8,10-11H2,(H,18,22)
InChIKeyVQHWNJYDKQJJJT-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide (PubChem CID 23610176) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
PubChem CID23610176
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
SMILESO=C(Cn1nnc2ccccc21)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C17H16N4O4/c22-17(10-21-14-4-2-1-3-13(14)19-20-21)18-7-8-23-12-5-6-15-16(9-12)25-11-24-15/h1-6,9H,7-8,10-11H2,(H,18,22)
InChIKeyVQHWNJYDKQJJJT-UHFFFAOYSA-N
XLogP1.36
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550
2-(benzotriazol-1-yl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 51284087
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 30350371
(2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-tert-butyl-2-(4-ethoxyphenyl)acetamide
CID 98100693
N-[2-[2-(1,3-benzodioxol-5-yloxy)ethylamino]-2-oxoethyl]-2-iodobenzamide
CID 55847087
(2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167221
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
CID 3181682
(2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
CID 25451615

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide (CID 23610176) is N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide is O=C(Cn1nnc2ccccc21)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide?
The InChIKey is VQHWNJYDKQJJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-17(10-21-14-4-2-1-3-13(14)19-20-21)18-7-8-23-12-5-6-15-16(9-12)25-11-24-15/h1-6,9H,7-8,10-11H2,(H,18,22).
What are the key properties of N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide?
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide is sourced from PubChem (CID 23610176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).