2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide

C28H27NO4 — CID 1409338

IUPAC2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C28H27NO4/c1-16-6-8-21(9-7-16)27-28(25(31)23-14-19(4)11-20(5)26(23)33-27)32-15-24(30)29-22-12-17(2)10-18(3)13-22/h6-14H,15H2,1-5H3,(H,29,30)
InChIKeyGYCMJLIRKYIZAR-UHFFFAOYSA-N
MW441.53 g/mol
LogP6.02
Rot. Bonds5

About 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide

2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide (PubChem CID 1409338) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
PubChem CID1409338
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide
SMILESCc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C28H27NO4/c1-16-6-8-21(9-7-16)27-28(25(31)23-14-19(4)11-20(5)26(23)33-27)32-15-24(30)29-22-12-17(2)10-18(3)13-22/h6-14H,15H2,1-5H3,(H,29,30)
InChIKeyGYCMJLIRKYIZAR-UHFFFAOYSA-N
XLogP6.02
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-2-[2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1409430
2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
CID 1409490
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1409332
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
CID 1409351
3-[2-(1H-indol-3-yl)-2-oxoethoxy]-6,8-dimethyl-2-(4-methylphenyl)chromen-4-one
CID 1409356
2-(4-methoxyphenyl)-6,8-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 1409416
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
ethyl 4-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001065
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide (CID 1409338) is 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide is Cc1ccc(-c2oc3c(C)cc(C)cc3c(=O)c2OCC(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is GYCMJLIRKYIZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c1-16-6-8-21(9-7-16)27-28(25(31)23-14-19(4)11-20(5)26(23)33-27)32-15-24(30)29-22-12-17(2)10-18(3)13-22/h6-14H,15H2,1-5H3,(H,29,30).
What are the key properties of 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide?
2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 1409338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).