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

C19H21N3O4 — CID 4903562

IUPAC2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C19H21N3O4/c1-2-14-10-19(24)26-17-11-15(4-5-16(14)17)25-12-18(23)21-6-3-8-22-9-7-20-13-22/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H,21,23)
InChIKeyZCODWDVDQBQRJG-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.14
Rot. Bonds8

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

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4903562) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4903562
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C19H21N3O4/c1-2-14-10-19(24)26-17-11-15(4-5-16(14)17)25-12-18(23)21-6-3-8-22-9-7-20-13-22/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H,21,23)
InChIKeyZCODWDVDQBQRJG-UHFFFAOYSA-N
XLogP2.14
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.14
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-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide (CID 4903562) is 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is CCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12.
What is the InChIKey of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is ZCODWDVDQBQRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-14-10-19(24)26-17-11-15(4-5-16(14)17)25-12-18(23)21-6-3-8-22-9-7-20-13-22/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H,21,23).
What are the key properties of 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide?
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4903562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).