2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide

C20H23N3O4 — CID 4870750

IUPAC2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C20H23N3O4/c1-3-15-11-19(25)27-20-14(2)17(6-5-16(15)20)26-12-18(24)22-7-4-9-23-10-8-21-13-23/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,22,24)
InChIKeyAJKKVGFLGBDMOQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.45
Rot. Bonds8

About 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide

2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4870750) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4870750
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C20H23N3O4/c1-3-15-11-19(25)27-20-14(2)17(6-5-16(15)20)26-12-18(24)22-7-4-9-23-10-8-21-13-23/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,22,24)
InChIKeyAJKKVGFLGBDMOQ-UHFFFAOYSA-N
XLogP2.45
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (CID 4870750) is 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is CCc1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12.
What is the InChIKey of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is AJKKVGFLGBDMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-15-11-19(25)27-20-14(2)17(6-5-16(15)20)26-12-18(24)22-7-4-9-23-10-8-21-13-23/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).