2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide

C20H22N4O3 — CID 2738922

IUPAC2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nn(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C20H22N4O3/c1-14-17(23-24(22-14)16-7-5-4-6-8-16)13-21-20(25)12-15-9-10-18(26-2)19(11-15)27-3/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyUSCRNVBZOXCWOC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.45
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide (PubChem CID 2738922) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
PubChem CID2738922
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2nn(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C20H22N4O3/c1-14-17(23-24(22-14)16-7-5-4-6-8-16)13-21-20(25)12-15-9-10-18(26-2)19(11-15)27-3/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyUSCRNVBZOXCWOC-UHFFFAOYSA-N
XLogP2.45
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 141484719
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 141484724
N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 141484732
2-(1,3-benzodioxol-5-yl)-N-[[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]acetamide
CID 156019529
2-(2-methoxyphenyl)-N-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]acetamide
CID 2738917
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1H-pyrazole-3-carboxamide
CID 8889007
2-(1,3-benzodioxol-5-yl)-N-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]methyl]acetamide
CID 156019425
3-(2,3-dimethoxyphenyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47007404
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 49670897
2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]acetamide
CID 71808325
N-{[(R)-1-phenyl-2-pyrrolidinyl]methyl}(3,4-dimethoxyphenyl)acetamide
CID 99883066
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide (CID 2738922) is 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2nn(-c3ccccc3)nc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
The InChIKey is USCRNVBZOXCWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-17(23-24(22-14)16-7-5-4-6-8-16)13-21-20(25)12-15-9-10-18(26-2)19(11-15)27-3/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 2738922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).