N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

C20H23N3O4 — CID 4904099

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C20H23N3O4/c1-2-4-15-11-20(25)27-18-12-16(5-6-17(15)18)26-13-19(24)22-7-3-9-23-10-8-21-14-23/h5-6,8,10-12,14H,2-4,7,9,13H2,1H3,(H,22,24)
InChIKeyVLVIPACLTQTGGH-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.53
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide

N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (PubChem CID 4904099) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
PubChem CID4904099
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12
InChIInChI=1S/C20H23N3O4/c1-2-4-15-11-20(25)27-18-12-16(5-6-17(15)18)26-13-19(24)22-7-3-9-23-10-8-21-14-23/h5-6,8,10-12,14H,2-4,7,9,13H2,1H3,(H,22,24)
InChIKeyVLVIPACLTQTGGH-UHFFFAOYSA-N
XLogP2.53
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.53
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-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide (CID 4904099) is N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide is CCCc1cc(=O)oc2cc(OCC(=O)NCCCn3ccnc3)ccc12.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
The InChIKey is VLVIPACLTQTGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-4-15-11-20(25)27-18-12-16(5-6-17(15)18)26-13-19(24)22-7-3-9-23-10-8-21-14-23/h5-6,8,10-12,14H,2-4,7,9,13H2,1H3,(H,22,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide has a molecular weight of 369.42 g/mol, XLogP of 2.53, 9 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-(2-oxo-4-propylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 4904099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).