N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide

C21H20N2O5 — CID 26000046

IUPACN-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C21H20N2O5/c1-3-22-21(26)14-5-4-6-15(10-14)23-19(24)12-27-16-7-8-17-13(2)9-20(25)28-18(17)11-16/h4-11H,3,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOHZGXTXLEXYNHP-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide

N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide (PubChem CID 26000046) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
PubChem CID26000046
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C21H20N2O5/c1-3-22-21(26)14-5-4-6-15(10-14)23-19(24)12-27-16-7-8-17-13(2)9-20(25)28-18(17)11-16/h4-11H,3,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOHZGXTXLEXYNHP-UHFFFAOYSA-N
XLogP2.87
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide (CID 26000046) is N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The InChIKey is OHZGXTXLEXYNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-3-22-21(26)14-5-4-6-15(10-14)23-19(24)12-27-16-7-8-17-13(2)9-20(25)28-18(17)11-16/h4-11H,3,12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide has a molecular weight of 380.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 26000046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).