3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide

C25H21N3O3 — CID 66818676

IUPAC3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C25H21N3O3/c1-3-28(4-2)25(29)20-13-23(30-21-9-5-18(16-26)6-10-21)15-24(14-20)31-22-11-7-19(17-27)8-12-22/h5-15H,3-4H2,1-2H3
InChIKeyTZCAKLGKDGQDSY-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.50
Rot. Bonds7

About 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide

3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide (PubChem CID 66818676) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide
PubChem CID66818676
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C25H21N3O3/c1-3-28(4-2)25(29)20-13-23(30-21-9-5-18(16-26)6-10-21)15-24(14-20)31-22-11-7-19(17-27)8-12-22/h5-15H,3-4H2,1-2H3
InChIKeyTZCAKLGKDGQDSY-UHFFFAOYSA-N
XLogP5.50
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3,5-bis[4-(N'-hydroxycarbamimidoyl)phenoxy]benzamide
CID 91285588
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
4-[3-(4-cyanophenoxy)-4-ethylphenoxy]benzonitrile
CID 19038454
3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide
CID 166108154
3-(4-cyanophenoxy)-5-(2-phenylethoxy)benzoic acid
CID 66818728
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
CID 91557518
N-[3-(4-cyanophenoxy)propyl]-N-ethyl-2-oxoacetamide
CID 142802537

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide?
The IUPAC name of 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide (CID 66818676) is 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide.
What is the SMILES notation for 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide?
The canonical SMILES for 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide?
The InChIKey is TZCAKLGKDGQDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-3-28(4-2)25(29)20-13-23(30-21-9-5-18(16-26)6-10-21)15-24(14-20)31-22-11-7-19(17-27)8-12-22/h5-15H,3-4H2,1-2H3.
What are the key properties of 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide?
3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide has a molecular weight of 411.46 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-cyanophenoxy)-N,N-diethylbenzamide is sourced from PubChem (CID 66818676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).