(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide

C23H28N2O — CID 101165082

IUPAC(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide
SMILESCCCC[C@](C#N)(c1ccccc1)[C@H](CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C23H28N2O/c1-4-5-16-23(18-24,20-14-10-7-11-15-20)21(17-22(26)25(2)3)19-12-8-6-9-13-19/h6-15,21H,4-5,16-17H2,1-3H3/t21-,23+/m1/s1
InChIKeyJJMPNCIOYAVRJA-GGAORHGYSA-N
MW348.49 g/mol
LogP4.90
Rot. Bonds8

About (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide

(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide (PubChem CID 101165082) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide.

Molecular Properties

Compound Name(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide
PubChem CID101165082
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide
SMILESCCCC[C@](C#N)(c1ccccc1)[C@H](CC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C23H28N2O/c1-4-5-16-23(18-24,20-14-10-7-11-15-20)21(17-22(26)25(2)3)19-12-8-6-9-13-19/h6-15,21H,4-5,16-17H2,1-3H3/t21-,23+/m1/s1
InChIKeyJJMPNCIOYAVRJA-GGAORHGYSA-N
XLogP4.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-2-cyano-5-(dimethylamino)-5-oxo-2,3-diphenylpentyl] acetate
CID 101165086
methyl (3S,4S)-3-cyano-6-(dimethylamino)-6-oxo-3,4-diphenylhexanoate
CID 23247637
(2R,3R)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide
CID 101165091
(2R,3S)-N,N,N',N'-tetramethyl-2,3-diphenyl-2-prop-2-enylpentanediamide
CID 101165108
tert-butyl (3R,4S)-4-cyano-3,4-diphenylhexanoate
CID 101165093
2-(dimethylamino)-2-phenylhexanenitrile
CID 44719412
5-amino-2-phenyl-2-propan-2-ylpentanenitrile
CID 22443873
(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
CID 129363501
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
7-oxo-2-phenyl-2-propan-2-ylheptanenitrile
CID 22443910
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2,2-dicyano-N,N-dimethyl-2-phenylacetamide
CID 19919955

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide?
The IUPAC name of (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide (CID 101165082) is (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide.
What is the SMILES notation for (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide?
The canonical SMILES for (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide is CCCC[C@](C#N)(c1ccccc1)[C@H](CC(=O)N(C)C)c1ccccc1.
What is the InChIKey of (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide?
The InChIKey is JJMPNCIOYAVRJA-GGAORHGYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-5-16-23(18-24,20-14-10-7-11-15-20)21(17-22(26)25(2)3)19-12-8-6-9-13-19/h6-15,21H,4-5,16-17H2,1-3H3/t21-,23+/m1/s1.
What are the key properties of (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide?
(3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide has a molecular weight of 348.49 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyano-N,N-dimethyl-3,4-diphenyloctanamide is sourced from PubChem (CID 101165082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).