N-[4-(diethylamino)phenyl]-4-phenoxybenzamide

C23H24N2O2 — CID 7900350

IUPACN-[4-(diethylamino)phenyl]-4-phenoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-25(4-2)20-14-12-19(13-15-20)24-23(26)18-10-16-22(17-11-18)27-21-8-6-5-7-9-21/h5-17H,3-4H2,1-2H3,(H,24,26)
InChIKeyIMTJKMKQYCTCRV-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.58
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-4-phenoxybenzamide

N-[4-(diethylamino)phenyl]-4-phenoxybenzamide (PubChem CID 7900350) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-phenoxybenzamide
PubChem CID7900350
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[4-(diethylamino)phenyl]-4-phenoxybenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O2/c1-3-25(4-2)20-14-12-19(13-15-20)24-23(26)18-10-16-22(17-11-18)27-21-8-6-5-7-9-21/h5-17H,3-4H2,1-2H3,(H,24,26)
InChIKeyIMTJKMKQYCTCRV-UHFFFAOYSA-N
XLogP5.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
N-[4-(diethylamino)phenyl]-4-(2-methylprop-2-enoxy)benzamide
CID 17123754
[4-(phenylcarbamoyl)phenyl]methyl 4-(diethylamino)benzoate
CID 7665240
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-phenoxybenzamide (CID 7900350) is N-[4-(diethylamino)phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-phenoxybenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-phenoxybenzamide?
The InChIKey is IMTJKMKQYCTCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-25(4-2)20-14-12-19(13-15-20)24-23(26)18-10-16-22(17-11-18)27-21-8-6-5-7-9-21/h5-17H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)phenyl]-4-phenoxybenzamide?
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide has a molecular weight of 360.46 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-phenoxybenzamide is sourced from PubChem (CID 7900350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).