3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide

C26H32N2O5 — CID 16746263

IUPAC3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CC(c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc12
InChIInChI=1S/C26H32N2O5/c1-7-28(8-2)23(29)15-20(17-9-11-18(12-10-17)27(3)4)25-22(32-6)16-21(31-5)19-13-14-24(30)33-26(19)25/h9-14,16,20H,7-8,15H2,1-6H3
InChIKeyUFEBPIZUJRVZRS-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.27
Rot. Bonds9

About 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide

3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide (PubChem CID 16746263) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide
PubChem CID16746263
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CC(c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc12
InChIInChI=1S/C26H32N2O5/c1-7-28(8-2)23(29)15-20(17-9-11-18(12-10-17)27(3)4)25-22(32-6)16-21(31-5)19-13-14-24(30)33-26(19)25/h9-14,16,20H,7-8,15H2,1-6H3
InChIKeyUFEBPIZUJRVZRS-UHFFFAOYSA-N
XLogP4.27
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide?
The IUPAC name of 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide (CID 16746263) is 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide?
The canonical SMILES for 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide is CCN(CC)C(=O)CC(c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2ccc(=O)oc12.
What is the InChIKey of 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide?
The InChIKey is UFEBPIZUJRVZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-7-28(8-2)23(29)15-20(17-9-11-18(12-10-17)27(3)4)25-22(32-6)16-21(31-5)19-13-14-24(30)33-26(19)25/h9-14,16,20H,7-8,15H2,1-6H3.
What are the key properties of 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide?
3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide has a molecular weight of 452.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethoxy-2-oxochromen-8-yl)-3-[4-(dimethylamino)phenyl]-N,N-diethylpropanamide is sourced from PubChem (CID 16746263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).