(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide

C25H25NO — CID 164898987

IUPAC(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide
SMILESC[C@@H](/C=C/c1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c1-20(17-18-21-11-5-2-6-12-21)24(23-15-9-4-10-16-23)25(27)26-19-22-13-7-3-8-14-22/h2-18,20,24H,19H2,1H3,(H,26,27)/b18-17+/t20-,24-/m0/s1
InChIKeyUYYGUASRZQRHIK-BZYKCZEQSA-N
MW355.48 g/mol
LogP5.44
Rot. Bonds7

About (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide

(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide (PubChem CID 164898987) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide.

Molecular Properties

Compound Name(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide
PubChem CID164898987
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide
SMILESC[C@@H](/C=C/c1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO/c1-20(17-18-21-11-5-2-6-12-21)24(23-15-9-4-10-16-23)25(27)26-19-22-13-7-3-8-14-22/h2-18,20,24H,19H2,1H3,(H,26,27)/b18-17+/t20-,24-/m0/s1
InChIKeyUYYGUASRZQRHIK-BZYKCZEQSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[(E,3S,4S)-5-(benzylamino)-3-methyl-4-(4-methylphenyl)-5-oxopent-1-enyl]benzoate
CID 164898993
(E,2S,3S)-N-benzyl-3-methyl-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pent-4-enamide
CID 164899001
(E,2S,3R)-N-benzyl-2-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-5-phenylpent-4-enamide
CID 164898975
(E,2R,3S)-N-benzyl-3-methyl-5-phenyl-2-phenylsulfanylpent-4-enamide
CID 164898997
(E)-N-benzyl-2-(dibenzylamino)-4-phenylbut-3-enamide
CID 20870717
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S)-N-benzyl-2-hydroxy-4-methylpentanamide
CID 10822877
(E)-2-(benzylamino)-4-phenylbut-3-enoic acid
CID 20656167
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627
(3S,4R)-3-(benzylcarbamoyl)-4-phenylpentanoic acid
CID 805106
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide?
The IUPAC name of (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide (CID 164898987) is (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide.
What is the SMILES notation for (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide?
The canonical SMILES for (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide is C[C@@H](/C=C/c1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide?
The InChIKey is UYYGUASRZQRHIK-BZYKCZEQSA-N. The full InChI is InChI=1S/C25H25NO/c1-20(17-18-21-11-5-2-6-12-21)24(23-15-9-4-10-16-23)25(27)26-19-22-13-7-3-8-14-22/h2-18,20,24H,19H2,1H3,(H,26,27)/b18-17+/t20-,24-/m0/s1.
What are the key properties of (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide?
(E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide has a molecular weight of 355.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-N-benzyl-3-methyl-2,5-diphenylpent-4-enamide is sourced from PubChem (CID 164898987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).