2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C20H22N4O — CID 18132316

IUPAC2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(Cn3cncn3)cc2)cc1C
InChIInChI=1S/C20H22N4O/c1-15-3-4-19(9-16(15)2)10-20(25)22-11-17-5-7-18(8-6-17)12-24-14-21-13-23-24/h3-9,13-14H,10-12H2,1-2H3,(H,22,25)
InChIKeyGCKVDLRQOSLVNE-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.80
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 18132316) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID18132316
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(Cn3cncn3)cc2)cc1C
InChIInChI=1S/C20H22N4O/c1-15-3-4-19(9-16(15)2)10-20(25)22-11-17-5-7-18(8-6-17)12-24-14-21-13-23-24/h3-9,13-14H,10-12H2,1-2H3,(H,22,25)
InChIKeyGCKVDLRQOSLVNE-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 18132539
2-[(4-methylphenyl)methylsulfanyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132336
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 18132316) is 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccc(Cn3cncn3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is GCKVDLRQOSLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-3-4-19(9-16(15)2)10-20(25)22-11-17-5-7-18(8-6-17)12-24-14-21-13-23-24/h3-9,13-14H,10-12H2,1-2H3,(H,22,25).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18132316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).