2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide

C20H18N2O6 — CID 2924556

IUPAC2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
SMILESCCc1c(C)c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2oc1=O
InChIInChI=1S/C20H18N2O6/c1-3-16-12(2)17-9-8-15(10-18(17)28-20(16)24)27-11-19(23)21-13-4-6-14(7-5-13)22(25)26/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyPPQGURKFJZZYBO-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.59
Rot. Bonds6

About 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide

2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide (PubChem CID 2924556) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
PubChem CID2924556
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
SMILESCCc1c(C)c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2oc1=O
InChIInChI=1S/C20H18N2O6/c1-3-16-12(2)17-9-8-15(10-18(17)28-20(16)24)27-11-19(23)21-13-4-6-14(7-5-13)22(25)26/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyPPQGURKFJZZYBO-UHFFFAOYSA-N
XLogP3.59
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 1079173
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-(4-cyanophenyl)-2-[4-(4-nitrophenyl)-2-oxochromen-7-yl]oxyacetamide
CID 35775041
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
3-ethyl-4-methyl-7-phenacyloxychromen-2-one
CID 879355
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
CID 8563514
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
3-ethyl-4-methyl-7-(2-methylpropoxy)chromen-2-one
CID 4081676

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide (CID 2924556) is 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide is CCc1c(C)c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2oc1=O.
What is the InChIKey of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
The InChIKey is PPQGURKFJZZYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-3-16-12(2)17-9-8-15(10-18(17)28-20(16)24)27-11-19(23)21-13-4-6-14(7-5-13)22(25)26/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide has a molecular weight of 382.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 2924556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).