4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide

C18H19N3O — CID 8936275

IUPAC4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
SMILESCN(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(2)13-17(15-6-4-3-5-7-15)20-18(22)16-10-8-14(12-19)9-11-16/h3-11,17H,13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyUFZUDRRTOQXRMS-KRWDZBQOSA-N
MW293.37 g/mol
LogP2.59
Rot. Bonds5

About 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide

4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide (PubChem CID 8936275) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
PubChem CID8936275
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
SMILESCN(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-21(2)13-17(15-6-4-3-5-7-15)20-18(22)16-10-8-14(12-19)9-11-16/h3-11,17H,13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyUFZUDRRTOQXRMS-KRWDZBQOSA-N
XLogP2.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-phenylmethoxybenzamide
CID 8937208
N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 8937300
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
6-bromo-N-[2-(dimethylamino)-1-phenylethyl]pyridine-3-carboxamide
CID 66462748
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938193
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 8938195
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide (CID 8936275) is 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide is CN(C)C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
The InChIKey is UFZUDRRTOQXRMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(2)13-17(15-6-4-3-5-7-15)20-18(22)16-10-8-14(12-19)9-11-16/h3-11,17H,13H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide?
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide is sourced from PubChem (CID 8936275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).