1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide

C15H22N4O2 — CID 103918979

IUPAC1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCCCCCO)ccc21
InChIInChI=1S/C15H22N4O2/c1-2-19-14-8-7-12(11-13(14)17-18-19)15(21)16-9-5-3-4-6-10-20/h7-8,11,20H,2-6,9-10H2,1H3,(H,16,21)
InChIKeyIGSWJQOHSZGZCV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.73
Rot. Bonds8

About 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide

1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide (PubChem CID 103918979) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
PubChem CID103918979
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCCCCCO)ccc21
InChIInChI=1S/C15H22N4O2/c1-2-19-14-8-7-12(11-13(14)17-18-19)15(21)16-9-5-3-4-6-10-20/h7-8,11,20H,2-6,9-10H2,1H3,(H,16,21)
InChIKeyIGSWJQOHSZGZCV-UHFFFAOYSA-N
XLogP1.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzotriazole-5-carboxamide
CID 60552393
1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
CID 60566120
1-ethyl-N-[3-(2-methylpropoxy)propyl]benzotriazole-5-carboxamide
CID 51297094
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide
CID 30894759

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide (CID 103918979) is 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCCCCCCO)ccc21.
What is the InChIKey of 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide?
The InChIKey is IGSWJQOHSZGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-19-14-8-7-12(11-13(14)17-18-19)15(21)16-9-5-3-4-6-10-20/h7-8,11,20H,2-6,9-10H2,1H3,(H,16,21).
What are the key properties of 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide?
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 103918979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).