2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide

C23H25NO5 — CID 8564314

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc3c(C)cc(=O)oc3c2C)c(C)c1
InChIInChI=1S/C23H25NO5/c1-14-5-7-19(16(3)11-14)27-10-9-24-21(25)13-28-20-8-6-18-15(2)12-22(26)29-23(18)17(20)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25)
InChIKeySMRLUHHEMGSIKZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.60
Rot. Bonds7

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide (PubChem CID 8564314) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
PubChem CID8564314
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc3c(C)cc(=O)oc3c2C)c(C)c1
InChIInChI=1S/C23H25NO5/c1-14-5-7-19(16(3)11-14)27-10-9-24-21(25)13-28-20-8-6-18-15(2)12-22(26)29-23(18)17(20)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25)
InChIKeySMRLUHHEMGSIKZ-UHFFFAOYSA-N
XLogP3.60
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 8563913
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
CID 8563687
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 8563847
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]acetamide
CID 95214572
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetamide
CID 4967565
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 9194409
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 8563514
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8563671

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide (CID 8564314) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)COc2ccc3c(C)cc(=O)oc3c2C)c(C)c1.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
The InChIKey is SMRLUHHEMGSIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-14-5-7-19(16(3)11-14)27-10-9-24-21(25)13-28-20-8-6-18-15(2)12-22(26)29-23(18)17(20)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,25).
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 8564314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).