2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide

C26H25NO4 — CID 23472134

IUPAC2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
SMILESCc1cccc2c(=O)c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3oc12
InChIInChI=1S/C26H25NO4/c1-16-6-5-7-21-24(29)20-13-10-18(14-22(20)31-25(16)21)27-23(28)15-30-19-11-8-17(9-12-19)26(2,3)4/h5-14H,15H2,1-4H3,(H,27,28)
InChIKeyNLGRSUUROSAATF-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.57
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide

2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide (PubChem CID 23472134) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
PubChem CID23472134
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
SMILESCc1cccc2c(=O)c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3oc12
InChIInChI=1S/C26H25NO4/c1-16-6-5-7-21-24(29)20-13-10-18(14-22(20)31-25(16)21)27-23(28)15-30-19-11-8-17(9-12-19)26(2,3)4/h5-14H,15H2,1-4H3,(H,27,28)
InChIKeyNLGRSUUROSAATF-UHFFFAOYSA-N
XLogP5.57
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
2-(4-bromophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)acetamide
CID 4972779
2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472081
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 23471876
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide (CID 23472134) is 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide is Cc1cccc2c(=O)c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3oc12.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide?
The InChIKey is NLGRSUUROSAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-16-6-5-7-21-24(29)20-13-10-18(14-22(20)31-25(16)21)27-23(28)15-30-19-11-8-17(9-12-19)26(2,3)4/h5-14H,15H2,1-4H3,(H,27,28).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide is sourced from PubChem (CID 23472134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).