1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide

C17H26N4O2 — CID 109380792

IUPAC1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(C)(C)C(O)C(C)C)ccc21
InChIInChI=1S/C17H26N4O2/c1-6-21-14-8-7-12(9-13(14)19-20-21)16(23)18-10-17(4,5)15(22)11(2)3/h7-9,11,15,22H,6,10H2,1-5H3,(H,18,23)
InChIKeyLWUVEWMBFWBGKU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.22
Rot. Bonds6

About 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide

1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide (PubChem CID 109380792) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
PubChem CID109380792
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC(C)(C)C(O)C(C)C)ccc21
InChIInChI=1S/C17H26N4O2/c1-6-21-14-8-7-12(9-13(14)19-20-21)16(23)18-10-17(4,5)15(22)11(2)3/h7-9,11,15,22H,6,10H2,1-5H3,(H,18,23)
InChIKeyLWUVEWMBFWBGKU-UHFFFAOYSA-N
XLogP2.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
1-ethyl-N-[3-(2-methylpropoxy)propyl]benzotriazole-5-carboxamide
CID 51297094
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
1-ethyl-N-[3-(hydroxymethyl)pentan-3-yl]benzotriazole-5-carboxamide
CID 62520841
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide (CID 109380792) is 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCC(C)(C)C(O)C(C)C)ccc21.
What is the InChIKey of 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide?
The InChIKey is LWUVEWMBFWBGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-6-21-14-8-7-12(9-13(14)19-20-21)16(23)18-10-17(4,5)15(22)11(2)3/h7-9,11,15,22H,6,10H2,1-5H3,(H,18,23).
What are the key properties of 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide?
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 109380792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).