2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide

C23H21N5O — CID 8975762

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N5O/c1-17(23(18-10-4-2-5-11-18)19-12-6-3-7-13-19)24-26-22(29)16-28-21-15-9-8-14-20(21)25-27-28/h2-15,23H,16H2,1H3,(H,26,29)/b24-17-
InChIKeyJHZIZJPHNVYGQW-ULJHMMPZSA-N
MW383.46 g/mol
LogP3.76
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide (PubChem CID 8975762) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
PubChem CID8975762
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N5O/c1-17(23(18-10-4-2-5-11-18)19-12-6-3-7-13-19)24-26-22(29)16-28-21-15-9-8-14-20(21)25-27-28/h2-15,23H,16H2,1H3,(H,26,29)/b24-17-
InChIKeyJHZIZJPHNVYGQW-ULJHMMPZSA-N
XLogP3.76
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 8975359
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[(Z)-1-[2,4-bis(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 6258532
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
CID 4259013
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
CID 8975909
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 8975811
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 8976215

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide (CID 8975762) is 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide is C/C(=N/NC(=O)Cn1nnc2ccccc21)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide?
The InChIKey is JHZIZJPHNVYGQW-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H21N5O/c1-17(23(18-10-4-2-5-11-18)19-12-6-3-7-13-19)24-26-22(29)16-28-21-15-9-8-14-20(21)25-27-28/h2-15,23H,16H2,1H3,(H,26,29)/b24-17-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide is sourced from PubChem (CID 8975762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).