2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide

C23H24N2O5 — CID 8563671

IUPAC2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1
InChIInChI=1S/C23H24N2O5/c1-14-5-7-17(8-6-14)24-20(26)12-25(4)21(27)13-29-19-10-9-18-15(2)11-22(28)30-23(18)16(19)3/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyYSHPKSQPCMDNFK-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.19
Rot. Bonds6

About 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8563671) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8563671
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1
InChIInChI=1S/C23H24N2O5/c1-14-5-7-17(8-6-14)24-20(26)12-25(4)21(27)13-29-19-10-9-18-15(2)11-22(28)30-23(18)16(19)3/h5-11H,12-13H2,1-4H3,(H,24,26)
InChIKeyYSHPKSQPCMDNFK-UHFFFAOYSA-N
XLogP3.19
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 8563847
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 8563514
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
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-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438434
2-[[2-(5-formyl-2-methoxyphenoxy)acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 7612189
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
N-(4-methylphenyl)-2-[methyl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetamide
CID 7467659
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8563671) is 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2C)cc1.
What is the InChIKey of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is YSHPKSQPCMDNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14-5-7-17(8-6-14)24-20(26)12-25(4)21(27)13-29-19-10-9-18-15(2)11-22(28)30-23(18)16(19)3/h5-11H,12-13H2,1-4H3,(H,24,26).
What are the key properties of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 408.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8563671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).