N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide

C20H22N4O5 — CID 59430003

IUPACN-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C20H22N4O5/c1-12(25)22-15-8-13(6-7-17(15)26-2)16-11-21-23-24(16)14-9-18(27-3)20(29-5)19(10-14)28-4/h6-11H,1-5H3,(H,22,25)
InChIKeyZPLNUNUWDMIRFQ-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.93
Rot. Bonds7

About N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide

N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide (PubChem CID 59430003) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
PubChem CID59430003
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
SMILESCOc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
InChIInChI=1S/C20H22N4O5/c1-12(25)22-15-8-13(6-7-17(15)26-2)16-11-21-23-24(16)14-9-18(27-3)20(29-5)19(10-14)28-4/h6-11H,1-5H3,(H,22,25)
InChIKeyZPLNUNUWDMIRFQ-UHFFFAOYSA-N
XLogP2.93
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]propanamide
CID 25030486
2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide
CID 71218480
4-[[2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 59430164
[3-(4-hydroxyphenyl)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium chloride
CID 87103521
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] hydrogen sulfate
CID 59430038
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 59430247
[3-(1H-inden-2-yl)-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58066511
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007607
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] sulfate
CID 59430037
5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 88580137
methoxy-[3-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]carbamic acid
CID 87508063
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide (CID 59430003) is N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide is COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide?
The InChIKey is ZPLNUNUWDMIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-12(25)22-15-8-13(6-7-17(15)26-2)16-11-21-23-24(16)14-9-18(27-3)20(29-5)19(10-14)28-4/h6-11H,1-5H3,(H,22,25).
What are the key properties of N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide?
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide has a molecular weight of 398.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 59430003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).