2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide

C23H22N4O2 — CID 7668592

IUPAC2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(COn1nnc2ccccc21)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N4O2/c28-23(17-29-27-22-14-8-7-13-21(22)25-26-27)24-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,24,28)
InChIKeyGJHWXLBOHAULOV-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.20
Rot. Bonds8

About 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide

2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide (PubChem CID 7668592) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
PubChem CID7668592
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(COn1nnc2ccccc21)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N4O2/c28-23(17-29-27-22-14-8-7-13-21(22)25-26-27)24-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,24,28)
InChIKeyGJHWXLBOHAULOV-UHFFFAOYSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminobutyl)-2-(benzotriazol-1-yloxy)acetamide
CID 134137184
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572
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-fluorophenyl)methyl]acetamide
CID 47018917
2-(benzotriazol-1-yloxy)-N-(3-methylphenyl)acetamide
CID 7668396
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7668531
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide (CID 7668592) is 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide is O=C(COn1nnc2ccccc21)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is GJHWXLBOHAULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-23(17-29-27-22-14-8-7-13-21(22)25-26-27)24-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,24,28).
What are the key properties of 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide?
2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 7668592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).