N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

C22H23NO4 — CID 2196142

IUPACN-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc12
InChIInChI=1S/C22H23NO4/c1-4-6-16-11-21(25)27-19-12-17(9-10-18(16)19)26-13-20(24)23-22-14(2)7-5-8-15(22)3/h5,7-12H,4,6,13H2,1-3H3,(H,23,24)
InChIKeyHREYHUAIHZRASY-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.38
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (PubChem CID 2196142) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
PubChem CID2196142
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc12
InChIInChI=1S/C22H23NO4/c1-4-6-16-11-21(25)27-19-12-17(9-10-18(16)19)26-13-20(24)23-22-14(2)7-5-8-15(22)3/h5,7-12H,4,6,13H2,1-3H3,(H,23,24)
InChIKeyHREYHUAIHZRASY-UHFFFAOYSA-N
XLogP4.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide 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

N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
N-(2,6-dichlorophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402685
N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353958
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (CID 2196142) is N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is CCCc1cc(=O)oc2cc(OCC(=O)Nc3c(C)cccc3C)ccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The InChIKey is HREYHUAIHZRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-6-16-11-21(25)27-19-12-17(9-10-18(16)19)26-13-20(24)23-22-14(2)7-5-8-15(22)3/h5,7-12H,4,6,13H2,1-3H3,(H,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide has a molecular weight of 365.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 2196142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).