2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

C24H26N2O5 — CID 8563847

IUPAC2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2C)c1
InChIInChI=1S/C24H26N2O5/c1-14-6-7-15(2)19(10-14)25-21(27)12-26(5)22(28)13-30-20-9-8-18-16(3)11-23(29)31-24(18)17(20)4/h6-11H,12-13H2,1-5H3,(H,25,27)
InChIKeyHGBPPYSIALGQLT-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.50
Rot. Bonds6

About 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide

2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 8563847) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID8563847
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2C)c1
InChIInChI=1S/C24H26N2O5/c1-14-6-7-15(2)19(10-14)25-21(27)12-26(5)22(28)13-30-20-9-8-18-16(3)11-23(29)31-24(18)17(20)4/h6-11H,12-13H2,1-5H3,(H,25,27)
InChIKeyHGBPPYSIALGQLT-UHFFFAOYSA-N
XLogP3.50
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.50
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-(4-methylphenyl)acetamide
CID 8563671
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503646
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 8699567
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-(4-nitrophenyl)acetamide
CID 8563514
N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide
CID 31304940
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 26561023
ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
CID 14690244
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(2-methylpropylcarbamoyl)acetamide
CID 8563687

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide (CID 8563847) is 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)COc2ccc3c(C)cc(=O)oc3c2C)c1.
What is the InChIKey of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is HGBPPYSIALGQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-14-6-7-15(2)19(10-14)25-21(27)12-26(5)22(28)13-30-20-9-8-18-16(3)11-23(29)31-24(18)17(20)4/h6-11H,12-13H2,1-5H3,(H,25,27).
What are the key properties of 2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide?
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 422.48 g/mol, XLogP of 3.50, 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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 8563847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).