N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide

C27H31NO5 — CID 73262677

IUPACN-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide
SMILESCOc1ccc(C2=COC3C(CCC(OCC(=O)Nc4cc(C)cc(C)c4)C3C)C2=O)cc1
InChIInChI=1S/C27H31NO5/c1-16-11-17(2)13-20(12-16)28-25(29)15-32-24-10-9-22-26(30)23(14-33-27(22)18(24)3)19-5-7-21(31-4)8-6-19/h5-8,11-14,18,22,24,27H,9-10,15H2,1-4H3,(H,28,29)
InChIKeyYGDYITWLBNKKDL-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.69
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide

N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide (PubChem CID 73262677) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide
PubChem CID73262677
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC NameN-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide
SMILESCOc1ccc(C2=COC3C(CCC(OCC(=O)Nc4cc(C)cc(C)c4)C3C)C2=O)cc1
InChIInChI=1S/C27H31NO5/c1-16-11-17(2)13-20(12-16)28-25(29)15-32-24-10-9-22-26(30)23(14-33-27(22)18(24)3)19-5-7-21(31-4)8-6-19/h5-8,11-14,18,22,24,27H,9-10,15H2,1-4H3,(H,28,29)
InChIKeyYGDYITWLBNKKDL-UHFFFAOYSA-N
XLogP4.69
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide with MolForge

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)-8-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 75193241
3-(4-methoxyphenyl)-8-methyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 73258720
2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide
CID 78222463
7-(4-methoxyanilino)-3-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78371999
N-(3,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652726
7-methoxy-3-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 71651228
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548310
N-(4-methoxy-2-nitrophenyl)-2-[[3-(4-methylphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide
CID 78295664
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide (CID 73262677) is N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide is COc1ccc(C2=COC3C(CCC(OCC(=O)Nc4cc(C)cc(C)c4)C3C)C2=O)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide?
The InChIKey is YGDYITWLBNKKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO5/c1-16-11-17(2)13-20(12-16)28-25(29)15-32-24-10-9-22-26(30)23(14-33-27(22)18(24)3)19-5-7-21(31-4)8-6-19/h5-8,11-14,18,22,24,27H,9-10,15H2,1-4H3,(H,28,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide?
N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[3-(4-methoxyphenyl)-8-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]acetamide is sourced from PubChem (CID 73262677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).