N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide

C24H21NO4 — CID 23471935

IUPACN-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1cc(C)c2oc3cc(NC(=O)COc4ccccc4C)ccc3c(=O)c2c1
InChIInChI=1S/C24H21NO4/c1-14-10-16(3)24-19(11-14)23(27)18-9-8-17(12-21(18)29-24)25-22(26)13-28-20-7-5-4-6-15(20)2/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyFFXQGHXGIDZCGL-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.89
Rot. Bonds4

About N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide

N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 23471935) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
PubChem CID23471935
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1cc(C)c2oc3cc(NC(=O)COc4ccccc4C)ccc3c(=O)c2c1
InChIInChI=1S/C24H21NO4/c1-14-10-16(3)24-19(11-14)23(27)18-9-8-17(12-21(18)29-24)25-22(26)13-28-20-7-5-4-6-15(20)2/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyFFXQGHXGIDZCGL-UHFFFAOYSA-N
XLogP4.89
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.89
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-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472081
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
4-butoxy-N-(5,7-dimethyl-9-oxoxanthen-3-yl)benzamide
CID 23471925
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1361277
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
CID 1409338
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide (CID 23471935) is N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide is Cc1cc(C)c2oc3cc(NC(=O)COc4ccccc4C)ccc3c(=O)c2c1.
What is the InChIKey of N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is FFXQGHXGIDZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-14-10-16(3)24-19(11-14)23(27)18-9-8-17(12-21(18)29-24)25-22(26)13-28-20-7-5-4-6-15(20)2/h4-12H,13H2,1-3H3,(H,25,26).
What are the key properties of N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide?
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 23471935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).