N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide

C20H22N4O — CID 30850404

IUPACN-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C20H22N4O/c1-4-23(13-17-8-6-5-7-9-17)20(25)19-14-24(22-21-19)18-11-10-15(2)16(3)12-18/h5-12,14H,4,13H2,1-3H3
InChIKeyUUCQDZSSUOKPRY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds5

About N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide

N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide (PubChem CID 30850404) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide
PubChem CID30850404
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1
InChIInChI=1S/C20H22N4O/c1-4-23(13-17-8-6-5-7-9-17)20(25)19-14-24(22-21-19)18-11-10-15(2)16(3)12-18/h5-12,14H,4,13H2,1-3H3
InChIKeyUUCQDZSSUOKPRY-UHFFFAOYSA-N
XLogP3.55
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
2-[[1-(3-methylphenyl)triazole-4-carbonyl]-propylamino]acetic acid
CID 119204799
1-[1-(3,4-dimethylphenyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580153
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
[1-(3,4-dimethylphenyl)triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 30850391
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)triazole-4-carboxamide
CID 111596473
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332630
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide (CID 30850404) is N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1.
What is the InChIKey of N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide?
The InChIKey is UUCQDZSSUOKPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-23(13-17-8-6-5-7-9-17)20(25)19-14-24(22-21-19)18-11-10-15(2)16(3)12-18/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide?
N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-dimethylphenyl)-N-ethyltriazole-4-carboxamide is sourced from PubChem (CID 30850404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).