2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide

C27H25NO5 — CID 24581989

IUPAC2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1
InChIInChI=1S/C27H25NO5/c1-3-15-31-23-12-8-7-11-22(23)28-25(29)17-32-20-13-14-21-24(16-20)33-18(2)26(27(21)30)19-9-5-4-6-10-19/h4-14,16H,3,15,17H2,1-2H3,(H,28,29)
InChIKeyYCCMPUPNGAKDKI-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.57
Rot. Bonds8

About 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide (PubChem CID 24581989) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
PubChem CID24581989
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1
InChIInChI=1S/C27H25NO5/c1-3-15-31-23-12-8-7-11-22(23)28-25(29)17-32-20-13-14-21-24(16-20)33-18(2)26(27(21)30)19-9-5-4-6-10-19/h4-14,16H,3,15,17H2,1-2H3,(H,28,29)
InChIKeyYCCMPUPNGAKDKI-UHFFFAOYSA-N
XLogP5.57
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
CID 24581655
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24581990
N-(2,5-dimethoxyphenyl)-2-[2-methyl-4-oxo-3-(4-propan-2-ylphenyl)chromen-7-yl]oxyacetamide
CID 2185121
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-3-phenylchromen-4-one
CID 10413131
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide (CID 24581989) is 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1.
What is the InChIKey of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide?
The InChIKey is YCCMPUPNGAKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-3-15-31-23-12-8-7-11-22(23)28-25(29)17-32-20-13-14-21-24(16-20)33-18(2)26(27(21)30)19-9-5-4-6-10-19/h4-14,16H,3,15,17H2,1-2H3,(H,28,29).
What are the key properties of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide?
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide has a molecular weight of 443.50 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 24581989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).