2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide

C19H16N2O6 — CID 8563514

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C19H16N2O6/c1-11-9-18(23)27-19-12(2)16(8-7-15(11)19)26-10-17(22)20-13-3-5-14(6-4-13)21(24)25/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyZLOAXWWBVODQOI-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.34
Rot. Bonds5

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide (PubChem CID 8563514) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
PubChem CID8563514
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C19H16N2O6/c1-11-9-18(23)27-19-12(2)16(8-7-15(11)19)26-10-17(22)20-13-3-5-14(6-4-13)21(24)25/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyZLOAXWWBVODQOI-UHFFFAOYSA-N
XLogP3.34
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.34
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

2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8563671
(4,8-dimethyl-2-oxochromen-7-yl) 4-nitrobenzoate
CID 7917022
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
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
8-acetyl-4-methyl-7-[(4-nitrophenyl)methoxy]chromen-2-one
CID 1336237
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-(1H-indol-5-yl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
CID 51049320

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide (CID 8563514) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide is Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
The InChIKey is ZLOAXWWBVODQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-11-9-18(23)27-19-12(2)16(8-7-15(11)19)26-10-17(22)20-13-3-5-14(6-4-13)21(24)25/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide has a molecular weight of 368.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8563514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).