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

C24H24ClNO5 — CID 78222463

IUPAC2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COC2CCC3C(=O)C(c4ccc(Cl)cc4)=COC3C2)cc1
InChIInChI=1S/C24H24ClNO5/c1-29-18-8-6-17(7-9-18)26-23(27)14-30-19-10-11-20-22(12-19)31-13-21(24(20)28)15-2-4-16(25)5-3-15/h2-9,13,19-20,22H,10-12,14H2,1H3,(H,26,27)
InChIKeyPPYWMNZXPDFJKV-UHFFFAOYSA-N
MW441.91 g/mol
LogP4.48
Rot. Bonds6

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

2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide (PubChem CID 78222463) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide
PubChem CID78222463
Molecular FormulaC24H24ClNO5
Molecular Weight441.91 g/mol
Exact Mass441.13
IUPAC Name2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COC2CCC3C(=O)C(c4ccc(Cl)cc4)=COC3C2)cc1
InChIInChI=1S/C24H24ClNO5/c1-29-18-8-6-17(7-9-18)26-23(27)14-30-19-10-11-20-22(12-19)31-13-21(24(20)28)15-2-4-16(25)5-3-15/h2-9,13,19-20,22H,10-12,14H2,1H3,(H,26,27)
InChIKeyPPYWMNZXPDFJKV-UHFFFAOYSA-N
XLogP4.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 71651228
7-(4-methoxyanilino)-3-(4-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78371999
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
2-[[3-(2-bromophenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(2,5-dimethoxyphenyl)acetamide
CID 78221745
3-(4-methoxyphenoxy)-7-phenacyloxy-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78226077
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-phenacyloxy-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78246292
N-(4-methoxyphenyl)-2-piperidin-3-yloxyacetamide
CID 43196810
7-[(2-methylphenyl)methoxy]-3-phenyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78209722
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-(3-aminocyclopentyl)oxy-N-(4-methylphenyl)acetamide
CID 79458232
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
3-(2-chlorophenyl)-7-[(4-methylphenyl)methoxy]-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78237600

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide (CID 78222463) is 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COC2CCC3C(=O)C(c4ccc(Cl)cc4)=COC3C2)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PPYWMNZXPDFJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-29-18-8-6-17(7-9-18)26-23(27)14-30-19-10-11-20-22(12-19)31-13-21(24(20)28)15-2-4-16(25)5-3-15/h2-9,13,19-20,22H,10-12,14H2,1H3,(H,26,27).
What are the key properties of 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide?
2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide has a molecular weight of 441.91 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxy]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 78222463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).