2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide

C28H32N4O2 — CID 23094976

IUPAC2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide
SMILESCCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)CC)cc4)cc3n2)cc1
InChIInChI=1S/C28H32N4O2/c1-4-6-7-21-8-13-24(14-9-21)32-30-26-17-12-23(18-27(26)31-32)29-28(33)19-34-25-15-10-22(11-16-25)20(3)5-2/h8-18,20H,4-7,19H2,1-3H3,(H,29,33)
InChIKeyCHXBUGHMLLJBAB-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.29
Rot. Bonds10

About 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide

2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide (PubChem CID 23094976) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide
PubChem CID23094976
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide
SMILESCCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)CC)cc4)cc3n2)cc1
InChIInChI=1S/C28H32N4O2/c1-4-6-7-21-8-13-24(14-9-21)32-30-26-17-12-23(18-27(26)31-32)29-28(33)19-34-25-15-10-22(11-16-25)20(3)5-2/h8-18,20H,4-7,19H2,1-3H3,(H,29,33)
InChIKeyCHXBUGHMLLJBAB-UHFFFAOYSA-N
XLogP6.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
N-[2-(4-butylphenyl)benzotriazol-5-yl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17318936
2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 22782534
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 17219884
2-(4-bromophenoxy)-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 3641417
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-chlorobutanamide
CID 4512212
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17314469
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide (CID 23094976) is 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide is CCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)CC)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is CHXBUGHMLLJBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-4-6-7-21-8-13-24(14-9-21)32-30-26-17-12-23(18-27(26)31-32)29-28(33)19-34-25-15-10-22(11-16-25)20(3)5-2/h8-18,20H,4-7,19H2,1-3H3,(H,29,33).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide?
2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 456.59 g/mol, XLogP of 6.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 23094976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).