[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate

C24H22N4O4 — CID 18276877

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C24H22N4O4/c1-16-12-13-21(31-2)19(14-16)25-24(30)23(17-8-4-3-5-9-17)32-22(29)15-28-20-11-7-6-10-18(20)26-27-28/h3-14,23H,15H2,1-2H3,(H,25,30)
InChIKeyIBSKORYPCYQQDD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.67
Rot. Bonds7

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 18276877) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID18276877
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C24H22N4O4/c1-16-12-13-21(31-2)19(14-16)25-24(30)23(17-8-4-3-5-9-17)32-22(29)15-28-20-11-7-6-10-18(20)26-27-28/h3-14,23H,15H2,1-2H3,(H,25,30)
InChIKeyIBSKORYPCYQQDD-UHFFFAOYSA-N
XLogP3.67
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate with MolForge

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 55384666
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3,3-dimethylbutanoate
CID 7950653
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063477
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853368
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(tetrazol-1-yl)benzoate
CID 2665146
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methyl-2-phenylpropanoate
CID 7984559
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-3-ylacetate
CID 7765424
2-(benzotriazol-1-yloxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7668398
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-but-2-enoate
CID 2507805

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate (CID 18276877) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate is COc1ccc(C)cc1NC(=O)C(OC(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is IBSKORYPCYQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16-12-13-21(31-2)19(14-16)25-24(30)23(17-8-4-3-5-9-17)32-22(29)15-28-20-11-7-6-10-18(20)26-27-28/h3-14,23H,15H2,1-2H3,(H,25,30).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 430.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 18276877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).