N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide

C23H19NO4 — CID 23472131

IUPACN-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(=O)c4cccc(C)c4oc3c2)c1
InChIInChI=1S/C23H19NO4/c1-14-5-3-7-17(11-14)27-13-21(25)24-16-9-10-18-20(12-16)28-23-15(2)6-4-8-19(23)22(18)26/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyAMHRQRDSNKFFNH-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.58
Rot. Bonds4

About N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide

N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 23472131) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
PubChem CID23472131
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC NameN-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(=O)c4cccc(C)c4oc3c2)c1
InChIInChI=1S/C23H19NO4/c1-14-5-3-7-17(11-14)27-13-21(25)24-16-9-10-18-20(12-16)28-23-15(2)6-4-8-19(23)22(18)26/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyAMHRQRDSNKFFNH-UHFFFAOYSA-N
XLogP4.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.58
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-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472081
2-(4-bromophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)acetamide
CID 4972779
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 23471876

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide (CID 23472131) is N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(=O)c4cccc(C)c4oc3c2)c1.
What is the InChIKey of N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is AMHRQRDSNKFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-14-5-3-7-17(11-14)27-13-21(25)24-16-9-10-18-20(12-16)28-23-15(2)6-4-8-19(23)22(18)26/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide?
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 23472131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).