[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate

C24H23NO6 — CID 19185742

IUPAC[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)Oc1ccc2cc(C(=O)NCC3CCCO3)c(=O)oc2c1
InChIInChI=1S/C24H23NO6/c26-22(11-8-16-5-2-1-3-6-16)30-18-10-9-17-13-20(24(28)31-21(17)14-18)23(27)25-15-19-7-4-12-29-19/h1-3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,(H,25,27)
InChIKeyORDHGNSFDBSLNA-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.24
Rot. Bonds7

About [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate

[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate (PubChem CID 19185742) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
PubChem CID19185742
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)Oc1ccc2cc(C(=O)NCC3CCCO3)c(=O)oc2c1
InChIInChI=1S/C24H23NO6/c26-22(11-8-16-5-2-1-3-6-16)30-18-10-9-17-13-20(24(28)31-21(17)14-18)23(27)25-15-19-7-4-12-29-19/h1-3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,(H,25,27)
InChIKeyORDHGNSFDBSLNA-UHFFFAOYSA-N
XLogP3.24
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate?
The IUPAC name of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate (CID 19185742) is [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate.
What is the SMILES notation for [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate?
The canonical SMILES for [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate is O=C(CCc1ccccc1)Oc1ccc2cc(C(=O)NCC3CCCO3)c(=O)oc2c1.
What is the InChIKey of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate?
The InChIKey is ORDHGNSFDBSLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c26-22(11-8-16-5-2-1-3-6-16)30-18-10-9-17-13-20(24(28)31-21(17)14-18)23(27)25-15-19-7-4-12-29-19/h1-3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,(H,25,27).
What are the key properties of [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate?
[2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate has a molecular weight of 421.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(oxolan-2-ylmethylcarbamoyl)chromen-7-yl] 3-phenylpropanoate is sourced from PubChem (CID 19185742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).