2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide

C26H23NO4 — CID 7700599

IUPAC2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3-c3ccccc3)ccc12
InChIInChI=1S/C26H23NO4/c1-17(2)22-15-26(29)31-24-14-19(12-13-21(22)24)30-16-25(28)27-23-11-7-6-10-20(23)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyGUPYYFNYMIXXST-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.60
Rot. Bonds6

About 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide

2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide (PubChem CID 7700599) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
PubChem CID7700599
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3-c3ccccc3)ccc12
InChIInChI=1S/C26H23NO4/c1-17(2)22-15-26(29)31-24-14-19(12-13-21(22)24)30-16-25(28)27-23-11-7-6-10-20(23)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,28)
InChIKeyGUPYYFNYMIXXST-UHFFFAOYSA-N
XLogP5.60
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700484
N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2496630
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 29433424
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide (CID 7700599) is 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3-c3ccccc3)ccc12.
What is the InChIKey of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide?
The InChIKey is GUPYYFNYMIXXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-17(2)22-15-26(29)31-24-14-19(12-13-21(22)24)30-16-25(28)27-23-11-7-6-10-20(23)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,27,28).
What are the key properties of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide?
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide has a molecular weight of 413.47 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 7700599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).