2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide

C18H19N5O2 — CID 8976215

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C18H19N5O2/c1-3-15(13-8-10-14(25-2)11-9-13)19-21-18(24)12-23-17-7-5-4-6-16(17)20-22-23/h4-11H,3,12H2,1-2H3,(H,21,24)/b19-15-
InChIKeyYOYRUJBVJZNUEL-CYVLTUHYSA-N
MW337.38 g/mol
LogP2.37
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide (PubChem CID 8976215) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
PubChem CID8976215
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
SMILESCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C18H19N5O2/c1-3-15(13-8-10-14(25-2)11-9-13)19-21-18(24)12-23-17-7-5-4-6-16(17)20-22-23/h4-11H,3,12H2,1-2H3,(H,21,24)/b19-15-
InChIKeyYOYRUJBVJZNUEL-CYVLTUHYSA-N
XLogP2.37
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 5080469
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
CID 8975823
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 8975359
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 8975811
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6897679
2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 8975762

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide (CID 8976215) is 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide is CC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
The InChIKey is YOYRUJBVJZNUEL-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-15(13-8-10-14(25-2)11-9-13)19-21-18(24)12-23-17-7-5-4-6-16(17)20-22-23/h4-11H,3,12H2,1-2H3,(H,21,24)/b19-15-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide is sourced from PubChem (CID 8976215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).