N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide

C18H18N4O4 — CID 154251483

IUPACN-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide
SMILESCOc1ccc(-n2nc3cc(NC(=O)CC(C)=O)c(OC)cc3n2)cc1
InChIInChI=1S/C18H18N4O4/c1-11(23)8-18(24)19-16-9-14-15(10-17(16)26-3)21-22(20-14)12-4-6-13(25-2)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,24)
InChIKeyZEZZURBDILJFMH-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.36
Rot. Bonds6

About N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide

N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide (PubChem CID 154251483) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide
PubChem CID154251483
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide
SMILESCOc1ccc(-n2nc3cc(NC(=O)CC(C)=O)c(OC)cc3n2)cc1
InChIInChI=1S/C18H18N4O4/c1-11(23)8-18(24)19-16-9-14-15(10-17(16)26-3)21-22(20-14)12-4-6-13(25-2)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,24)
InChIKeyZEZZURBDILJFMH-UHFFFAOYSA-N
XLogP2.36
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
2-(4-methoxyphenyl)-5-methyltriazole-4-carboxylic acid;3-oxo-N-phenylbutanamide
CID 162243082
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
N-(6-methoxy-2-oxobenzimidazol-5-yl)-3-oxobutanamide
CID 23046648
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3405005
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
2-(4-hydroxyphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
CID 141419786
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide?
The IUPAC name of N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide (CID 154251483) is N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide.
What is the SMILES notation for N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide?
The canonical SMILES for N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide is COc1ccc(-n2nc3cc(NC(=O)CC(C)=O)c(OC)cc3n2)cc1.
What is the InChIKey of N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide?
The InChIKey is ZEZZURBDILJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11(23)8-18(24)19-16-9-14-15(10-17(16)26-3)21-22(20-14)12-4-6-13(25-2)7-5-12/h4-7,9-10H,8H2,1-3H3,(H,19,24).
What are the key properties of N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide?
N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide has a molecular weight of 354.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-(4-methoxyphenyl)benzotriazol-5-yl]-3-oxobutanamide is sourced from PubChem (CID 154251483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).