1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide

C16H24N4O2 — CID 111115972

IUPAC1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C16H24N4O2/c1-4-11(5-2)15(21)10-17-16(22)12-7-8-14-13(9-12)18-19-20(14)6-3/h7-9,11,15,21H,4-6,10H2,1-3H3,(H,17,22)
InChIKeyHCCMQUJGJNKBIY-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds7

About 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide

1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide (PubChem CID 111115972) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
PubChem CID111115972
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C16H24N4O2/c1-4-11(5-2)15(21)10-17-16(22)12-7-8-14-13(9-12)18-19-20(14)6-3/h7-9,11,15,21H,4-6,10H2,1-3H3,(H,17,22)
InChIKeyHCCMQUJGJNKBIY-UHFFFAOYSA-N
XLogP1.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
CID 134053070
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539
1-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzotriazole-5-carboxamide
CID 109380792
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
N-(2,2-difluoro-3-hydroxypropyl)-1-ethylbenzotriazole-5-carboxamide
CID 104857209
1-ethyl-N-[3-(2-methylpropoxy)propyl]benzotriazole-5-carboxamide
CID 51297094
N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30873001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide (CID 111115972) is 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide is CCC(CC)C(O)CNC(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide?
The InChIKey is HCCMQUJGJNKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-11(5-2)15(21)10-17-16(22)12-7-8-14-13(9-12)18-19-20(14)6-3/h7-9,11,15,21H,4-6,10H2,1-3H3,(H,17,22).
What are the key properties of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide?
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 111115972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).