4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide

C24H24N4O3 — CID 17406064

IUPAC4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1
InChIInChI=1S/C24H24N4O3/c1-27(15-16-31-21-13-11-20(30-2)12-14-21)24(29)19-9-7-18(8-10-19)17-28-23-6-4-3-5-22(23)25-26-28/h3-14H,15-17H2,1-2H3
InChIKeySAOSINDGKLPQRG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.64
Rot. Bonds8

About 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide

4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide (PubChem CID 17406064) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
PubChem CID17406064
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1
InChIInChI=1S/C24H24N4O3/c1-27(15-16-31-21-13-11-20(30-2)12-14-21)24(29)19-9-7-18(8-10-19)17-28-23-6-4-3-5-22(23)25-26-28/h3-14H,15-17H2,1-2H3
InChIKeySAOSINDGKLPQRG-UHFFFAOYSA-N
XLogP3.64
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzotriazol-1-ylmethyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090759
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736
4-(benzotriazol-1-ylmethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 43060750
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 46461924
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 31285172
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
4-(benzotriazol-1-ylmethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 43057973
[4-(benzotriazol-1-ylmethyl)phenyl] acetate
CID 89269393
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
CID 36667910
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9429656

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide (CID 17406064) is 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide is COc1ccc(OCCN(C)C(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is SAOSINDGKLPQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-27(15-16-31-21-13-11-20(30-2)12-14-21)24(29)19-9-7-18(8-10-19)17-28-23-6-4-3-5-22(23)25-26-28/h3-14H,15-17H2,1-2H3.
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide?
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 17406064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).