N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C18H19N3O4 — CID 4904978

IUPACN-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C18H19N3O4/c1-13-9-18(23)25-16-10-14(3-4-15(13)16)24-11-17(22)20-5-2-7-21-8-6-19-12-21/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,20,22)
InChIKeyKLLLNKREHVKRFG-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.88
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 4904978) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID4904978
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C18H19N3O4/c1-13-9-18(23)25-16-10-14(3-4-15(13)16)24-11-17(22)20-5-2-7-21-8-6-19-12-21/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,20,22)
InChIKeyKLLLNKREHVKRFG-UHFFFAOYSA-N
XLogP1.88
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.88
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 N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 4904978) is N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KLLLNKREHVKRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13-9-18(23)25-16-10-14(3-4-15(13)16)24-11-17(22)20-5-2-7-21-8-6-19-12-21/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,20,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 341.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 4904978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).