N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide

C24H30F3N3O4 — CID 3926665

IUPACN-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C24H30F3N3O4/c1-4-30(5-2)14-8-13-28-23(32)17-11-12-20(21(15-17)33-3)34-16-22(31)29-19-10-7-6-9-18(19)24(25,26)27/h6-7,9-12,15H,4-5,8,13-14,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyKDTQEDLURPMNNM-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.19
Rot. Bonds12

About N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide

N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 3926665) has the molecular formula C24H30F3N3O4 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID3926665
Molecular FormulaC24H30F3N3O4
Molecular Weight481.52 g/mol
Exact Mass481.22
IUPAC NameN-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C24H30F3N3O4/c1-4-30(5-2)14-8-13-28-23(32)17-11-12-20(21(15-17)33-3)34-16-22(31)29-19-10-7-6-9-18(19)24(25,26)27/h6-7,9-12,15H,4-5,8,13-14,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyKDTQEDLURPMNNM-UHFFFAOYSA-N
XLogP4.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide (CID 3926665) is N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide is CCN(CC)CCCNC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is KDTQEDLURPMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O4/c1-4-30(5-2)14-8-13-28-23(32)17-11-12-20(21(15-17)33-3)34-16-22(31)29-19-10-7-6-9-18(19)24(25,26)27/h6-7,9-12,15H,4-5,8,13-14,16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide?
N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 481.52 g/mol, XLogP of 4.19, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 3926665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).