4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide

C20H23N3O — CID 46654174

IUPAC4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-3-23(4-2)19(17-8-6-5-7-9-17)15-22-20(24)18-12-10-16(14-21)11-13-18/h5-13,19H,3-4,15H2,1-2H3,(H,22,24)
InChIKeyWWNLKGUMLBDIDR-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.37
Rot. Bonds7

About 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide

4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide (PubChem CID 46654174) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
PubChem CID46654174
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-3-23(4-2)19(17-8-6-5-7-9-17)15-22-20(24)18-12-10-16(14-21)11-13-18/h5-13,19H,3-4,15H2,1-2H3,(H,22,24)
InChIKeyWWNLKGUMLBDIDR-UHFFFAOYSA-N
XLogP3.37
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 43060066
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
benzamidomethyl(triethyl)phosphanium thiocyanate
CID 71397985

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide (CID 46654174) is 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide is CCN(CC)C(CNC(=O)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The InChIKey is WWNLKGUMLBDIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-23(4-2)19(17-8-6-5-7-9-17)15-22-20(24)18-12-10-16(14-21)11-13-18/h5-13,19H,3-4,15H2,1-2H3,(H,22,24).
What are the key properties of 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide?
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 46654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).