2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide

C35H49NO5 — CID 46231884

IUPAC2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C35H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-34(39)27-40-29-24-30(37)35-31(38)26-32(41-33(35)25-29)28-21-18-17-19-22-28/h17-19,21-22,24-26,37H,2-16,20,23,27H2,1H3,(H,36,39)
InChIKeyUESVIKXUQPDQCL-UHFFFAOYSA-N
MW563.78 g/mol
LogP8.92
Rot. Bonds21

About 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide

2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide (PubChem CID 46231884) has the molecular formula C35H49NO5 and a molecular weight of 563.78 g/mol. Its IUPAC name is 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide.

Molecular Properties

Compound Name2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
PubChem CID46231884
Molecular FormulaC35H49NO5
Molecular Weight563.78 g/mol
Exact Mass563.36
IUPAC Name2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C35H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-34(39)27-40-29-24-30(37)35-31(38)26-32(41-33(35)25-29)28-21-18-17-19-22-28/h17-19,21-22,24-26,37H,2-16,20,23,27H2,1H3,(H,36,39)
InChIKeyUESVIKXUQPDQCL-UHFFFAOYSA-N
XLogP8.92
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.78
LogP ≤ 58.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5-hydroxy-7-[(1-octadecyltriazol-4-yl)methoxy]-2-phenylchromen-4-one
CID 155295029
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
CID 46898624
5-hydroxy-7-[2-(4-nitrophenyl)-2-oxoethoxy]-2-phenylchromen-4-one
CID 23960319
methyl (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxypropanoate
CID 5397954
7-hexoxy-2-phenyl-5,6-bis(phenylmethoxy)chromen-4-one
CID 56649089
1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 29147856
methyl 3-chloro-2-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]oxybenzoate
CID 51031369

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide?
The IUPAC name of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide (CID 46231884) is 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide.
What is the SMILES notation for 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide?
The canonical SMILES for 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide is CCCCCCCCCCCCCCCCCCNC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide?
The InChIKey is UESVIKXUQPDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-36-34(39)27-40-29-24-30(37)35-31(38)26-32(41-33(35)25-29)28-21-18-17-19-22-28/h17-19,21-22,24-26,37H,2-16,20,23,27H2,1H3,(H,36,39).
What are the key properties of 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide?
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide has a molecular weight of 563.78 g/mol, XLogP of 8.92, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide is sourced from PubChem (CID 46231884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).