3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide

C25H26N4O3 — CID 17219936

IUPAC3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)CC)c4)cc3n2)cc1
InChIInChI=1S/C25H26N4O3/c1-4-17(3)32-22-8-6-7-18(15-22)25(30)26-19-9-14-23-24(16-19)28-29(27-23)20-10-12-21(13-11-20)31-5-2/h6-17H,4-5H2,1-3H3,(H,26,30)
InChIKeyIUNGGNSOKFUETB-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.25
Rot. Bonds8

About 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide

3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 17219936) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID17219936
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)CC)c4)cc3n2)cc1
InChIInChI=1S/C25H26N4O3/c1-4-17(3)32-22-8-6-7-18(15-22)25(30)26-19-9-14-23-24(16-19)28-29(27-23)20-10-12-21(13-11-20)31-5-2/h6-17H,4-5H2,1-3H3,(H,26,30)
InChIKeyIUNGGNSOKFUETB-UHFFFAOYSA-N
XLogP5.25
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
4-[(2S)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 29093869
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]naphthalene-2-carboxamide
CID 15993722
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 1216141
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890
3-butoxy-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3293171
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
CID 17219968
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-5-iodofuran-2-carboxamide
CID 4550875

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide (CID 17219936) is 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide is CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)CC)c4)cc3n2)cc1.
What is the InChIKey of 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is IUNGGNSOKFUETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-17(3)32-22-8-6-7-18(15-22)25(30)26-19-9-14-23-24(16-19)28-29(27-23)20-10-12-21(13-11-20)31-5-2/h6-17H,4-5H2,1-3H3,(H,26,30).
What are the key properties of 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide?
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17219936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).