2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide

C23H19NO4 — CID 23472176

IUPAC2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1
InChIInChI=1S/C23H19NO4/c1-2-15-7-10-17(11-8-15)27-14-22(25)24-16-9-12-19-21(13-16)28-20-6-4-3-5-18(20)23(19)26/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyLHRQGFFCBPRHMV-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.53
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide

2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide (PubChem CID 23472176) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
PubChem CID23472176
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1
InChIInChI=1S/C23H19NO4/c1-2-15-7-10-17(11-8-15)27-14-22(25)24-16-9-12-19-21(13-16)28-20-6-4-3-5-18(20)23(19)26/h3-13H,2,14H2,1H3,(H,24,25)
InChIKeyLHRQGFFCBPRHMV-UHFFFAOYSA-N
XLogP4.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.53
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

N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
2-(4-bromophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)acetamide
CID 4972779
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 23471876
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide (CID 23472176) is 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide is CCc1ccc(OCC(=O)Nc2ccc3c(=O)c4ccccc4oc3c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide?
The InChIKey is LHRQGFFCBPRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-2-15-7-10-17(11-8-15)27-14-22(25)24-16-9-12-19-21(13-16)28-20-6-4-3-5-18(20)23(19)26/h3-13H,2,14H2,1H3,(H,24,25).
What are the key properties of 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide?
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide is sourced from PubChem (CID 23472176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).