N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide

C24H23N3O5 — CID 4837834

IUPACN-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCn4ccnc4)ccc23)cc1
InChIInChI=1S/C24H23N3O5/c1-30-18-5-3-17(4-6-18)21-14-24(29)32-22-13-19(7-8-20(21)22)31-15-23(28)26-9-2-11-27-12-10-25-16-27/h3-8,10,12-14,16H,2,9,11,15H2,1H3,(H,26,28)
InChIKeyOAIUGWIDKWVXDU-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.25
Rot. Bonds9

About N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide

N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide (PubChem CID 4837834) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
PubChem CID4837834
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCn4ccnc4)ccc23)cc1
InChIInChI=1S/C24H23N3O5/c1-30-18-5-3-17(4-6-18)21-14-24(29)32-22-13-19(7-8-20(21)22)31-15-23(28)26-9-2-11-27-12-10-25-16-27/h3-8,10,12-14,16H,2,9,11,15H2,1H3,(H,26,28)
InChIKeyOAIUGWIDKWVXDU-UHFFFAOYSA-N
XLogP3.25
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide (CID 4837834) is N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide is COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCCn4ccnc4)ccc23)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide?
The InChIKey is OAIUGWIDKWVXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-30-18-5-3-17(4-6-18)21-14-24(29)32-22-13-19(7-8-20(21)22)31-15-23(28)26-9-2-11-27-12-10-25-16-27/h3-8,10,12-14,16H,2,9,11,15H2,1H3,(H,26,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide has a molecular weight of 433.46 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 4837834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).