2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide

C28H26N4O2 — CID 22782534

IUPAC2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc1
InChIInChI=1S/C28H26N4O2/c1-3-19(2)20-11-14-23(15-12-20)34-18-28(33)29-22-13-16-25-26(17-22)31-32(30-25)27-10-6-8-21-7-4-5-9-24(21)27/h4-17,19H,3,18H2,1-2H3,(H,29,33)
InChIKeyIIMDDBGYWSSDCJ-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.10
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide

2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide (PubChem CID 22782534) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
PubChem CID22782534
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc1
InChIInChI=1S/C28H26N4O2/c1-3-19(2)20-11-14-23(15-12-20)34-18-28(33)29-22-13-16-25-26(17-22)31-32(30-25)27-10-6-8-21-7-4-5-9-24(21)27/h4-17,19H,3,18H2,1-2H3,(H,29,33)
InChIKeyIIMDDBGYWSSDCJ-UHFFFAOYSA-N
XLogP6.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 3525566
2-(4-butan-2-ylphenoxy)-N-[2-(4-butylphenyl)benzotriazol-5-yl]acetamide
CID 23094976
2-[4-[(2S)-butan-2-yl]phenoxy]-N-naphthalen-1-ylacetamide
CID 918616
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-2-(4-butan-2-ylphenoxy)acetamide
CID 21168212
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
2-(4-butan-2-ylphenoxy)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 21167958
N-[6-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide
CID 22778343
[3-[[2-(4-butan-2-ylphenoxy)acetyl]amino]phenyl] acetate
CID 17341802
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
CID 3653920
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40607430

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide (CID 22782534) is 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
The InChIKey is IIMDDBGYWSSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-3-19(2)20-11-14-23(15-12-20)34-18-28(33)29-22-13-16-25-26(17-22)31-32(30-25)27-10-6-8-21-7-4-5-9-24(21)27/h4-17,19H,3,18H2,1-2H3,(H,29,33).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide has a molecular weight of 450.54 g/mol, XLogP of 6.10, 7 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-naphthalen-1-ylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 22782534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).