1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide

C17H18N4O — CID 8839386

IUPAC1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C17H18N4O/c1-3-12-7-5-6-8-14(12)18-17(22)13-9-10-16-15(11-13)19-20-21(16)4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyFCTFOFGXLKTRQE-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.27
Rot. Bonds4

About 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide

1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide (PubChem CID 8839386) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
PubChem CID8839386
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C17H18N4O/c1-3-12-7-5-6-8-14(12)18-17(22)13-9-10-16-15(11-13)19-20-21(16)4-2/h5-11H,3-4H2,1-2H3,(H,18,22)
InChIKeyFCTFOFGXLKTRQE-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
1-ethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzotriazole-5-carboxamide
CID 18155904
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide (CID 8839386) is 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide is CCc1ccccc1NC(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide?
The InChIKey is FCTFOFGXLKTRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-12-7-5-6-8-14(12)18-17(22)13-9-10-16-15(11-13)19-20-21(16)4-2/h5-11H,3-4H2,1-2H3,(H,18,22).
What are the key properties of 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide?
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 8839386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).