2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide

C23H22N4O2 — CID 7668531

IUPAC2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
SMILESO=C(COn1nnc2ccccc21)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N4O2/c28-23(18-29-27-22-14-8-7-13-21(22)24-25-27)26(17-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14H,15-18H2
InChIKeyBBOKQHLAEMMCON-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.13
Rot. Bonds8

About 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide

2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide (PubChem CID 7668531) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
PubChem CID7668531
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
SMILESO=C(COn1nnc2ccccc21)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N4O2/c28-23(18-29-27-22-14-8-7-13-21(22)24-25-27)26(17-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14H,15-18H2
InChIKeyBBOKQHLAEMMCON-UHFFFAOYSA-N
XLogP3.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yloxy)-N-benzyl-N-tert-butylacetamide
CID 35932817
N-(4-aminobutyl)-N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;dihydrochloride
CID 134134296
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477900
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
CID 3739588
benzotriazol-1-yl (2S)-2-(dibenzylamino)propanoate
CID 11417792
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
2-(benzotriazol-1-yloxy)-N-(3,3-diphenylpropyl)acetamide
CID 7668592

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide (CID 7668531) is 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide is O=C(COn1nnc2ccccc21)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide?
The InChIKey is BBOKQHLAEMMCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-23(18-29-27-22-14-8-7-13-21(22)24-25-27)26(17-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14H,15-18H2.
What are the key properties of 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide?
2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7668531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).